-OEChem-05171211432D

 12 12  0     0  0  0  0  0  0999 V2000
   -1.4265    1.2354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4265    1.2354    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1386    0.0021    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.4146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4265    0.4132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.8229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.2354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1386    0.0021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4265    0.4132    0.0000 B   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2 12  1  0  0  0  0
  3 12  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  2  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  7 11  1  0  0  0  0
  8 10  1  0  0  0  0
  9 10  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_ID_TYPE>
0

> <PUBCHEM_HOLD_UNTIL_DATE>
2009-08-16

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_SUBSTANCE_ID>
84981617

> <PUBCHEM_SUBSTANCE_VERSION>
1

> <PUBCHEM_EXT_DATASOURCE_NAME>
Nature Chemistry

> <PUBCHEM_EXT_DATASOURCE_REGID>
nchem.328-comp2d

> <PUBCHEM_SUBSTANCE_COMMENT>
Barluenga et al. A metal-free carbon-carbon bond-forming reductive coupling between boronic acids and tosylhydrazones. Nature Chemistry, doi: 10.1038/nchem.328, published online 16 August 2009. http://www.nature.com/naturechemistry

> <PUBCHEM_SUBSTANCE_SYNONYM>
3-Acetylphenylboronic acid

> <PUBCHEM_XREF_EXT_ID>
nchem.328-comp2d

> <PUBCHEM_EXT_DATASOURCE_URL>
http://www.nature.com/nchem/

> <PUBCHEM_EXT_SUBSTANCE_URL>
http://dx.doi.org/10.1038/nchem.328

> <PUBCHEM_CID_ASSOCIATIONS>
2734310  1

> <PUBCHEM_COORDINATE_TYPE>
1
3

$$$$