Benzoic Acid → HCID 19911591, compound

HRID 1241196Notes

Reaction equation

HRID 1241196 reaction equation
[C:12]([OH:13])(=[O:14])[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1.[C:3]([OH:4])(=[O:5])[c:6]1[cH:7][cH:8][cH:9][cH:10][cH:11]1.[CH3:1][OH:2].[CH3:21][O:22][CH2:23][O:24][CH:25]([CH2:26][OH:27])[CH:28]([CH2:29][OH:44])[CH2:31][CH2:32][CH2:33][O:34][S:30]([c:35]1[cH:36][cH:37][c:38]([CH3:39])[cH:40][cH:41]1)(=[O:42])=[O:43].[CH3:45][C:46]([CH3:47])([O-:48])[CH3:49].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[K+:50].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[OH2:51]>>[CH3:21][O:22][CH2:23][O:24][CH:25]([CH2:26][OH:27])[CH:28]1[CH2:29][O:34][CH2:33][CH2:32][CH2:31]1

Participants

9

Reactant 8

HCID 243Benzoic Acid2×HCID 813Potassium CationHCID 887MethanolHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 45749132-Methylpropan-2-olateHCID 178500913HCID 178500913, compound

Product 1

HCID 19911591HCID 19911591, compound

Sources & evidence

ORD record
ord-8160d88c341a4b84a264df7203aed4b0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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