Benzoic Acid → Benzoate

HRID 1565222Notes

Reaction equation

HRID 1565222 reaction equation
[CH3:45][OH:46].[Cl:10][c:11]1[cH:12][c:13]2[c:18]([n:19][c:20]1[CH2:21][NH:22][CH2:23][CH:24]1[CH2:25][N:26]([CH2:30][CH2:31][n:32]3[c:33](=[O:43])[cH:34][cH:35][c:36]4[cH:37][cH:38][c:39]([F:42])[cH:40][c:41]34)[CH2:27][CH:28]1[OH:29])[NH:17][C:16](=[O:44])[CH2:15][O:14]2.[OH:1][C:2](=[O:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1>>[Cl:10][c:11]1[cH:12][c:13]2[c:18]([n:19][c:20]1[CH2:21][NH:22][CH2:23][CH:24]1[CH2:25][N:26]([CH2:30][CH2:31][n:32]3[c:33](=[O:43])[cH:34][cH:35][c:36]4[cH:37][cH:38][c:39]([F:42])[cH:40][c:41]34)[CH2:27][CH:28]1[OH:29])[NH:17][C:16](=[O:44])[CH2:15][O:14]2.[O:1]=[C:2]([O-:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1

Participants

5

Reactant 3

HCID 243Benzoic AcidHCID 887MethanolHCID 178516863HCID 178516863, compound

Product 2

HCID 242BenzoateHCID 178516863HCID 178516863, compound

Sources & evidence

ORD record
ord-bf5dcf5755c24eac981c1470b44e9e1d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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