Benzoic Acid → Benzoic Acid

HRID 2331002Notes

Reaction equation

HRID 2331002 reaction equation
[CH3:37][O:38][C:39]([CH3:40])([CH3:41])[CH3:42].[CH3:43][CH:44]([OH:45])[CH3:46].[Cl:10][c:11]1[c:12]([C:13](=[O:14])[NH:15][CH2:16][C:17]23[CH2:18][CH:19]4[CH2:20][CH:21]([CH2:22][CH:23]([CH2:24]2)[CH2:25]4)[CH2:26]3)[cH:27][c:28]([CH2:31][CH:32]([CH2:33][NH:34][CH3:35])[OH:36])[cH:29][cH:30]1.[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[c:12]([C:13](=[O:14])[NH:15][CH2:16][C:17]23[CH2:18][CH:19]4[CH2:20][CH:21]([CH2:22][CH:23]([CH2:24]2)[CH2:25]4)[CH2:26]3)[cH:27][c:28]([CH2:31][CH:32]([CH2:33][NH:34][CH3:35])[OH:36])[cH:29][cH:30]1.[O:1]=[C:2]([OH:3])[c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1

Participants

6

Reactant 4

HCID 243Benzoic AcidHCID 3776IsopropanolHCID 15413tert-Butyl methyl etherHCID 11741157HCID 11741157, compound

Product 2

HCID 243Benzoic AcidHCID 11741157HCID 11741157, compound

Sources & evidence

ORD record
ord-8ca0bdc42d204ec8bbdc34af4dc4c978
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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