Water → Phenylacetic Acid

HRID 685331Notes

Reaction equation

HRID 685331 reaction equation
[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([cH:26]1)[C:9]([c:19]1[c:20]([Cl:25])[cH:21][cH:22][cH:23][cH:24]1)=[N:10][CH2:11][c:12]1[n:13]-2[c:14]([CH2:17][OH:18])[n:15][n:16]1.[OH2:46].[c:27]1([CH2:33][C:34](=[O:35])[O:36][C:37](=[O:38])[CH2:39][c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([cH:26]1)[C:9]([c:19]1[c:20]([Cl:25])[cH:21][cH:22][cH:23][cH:24]1)=[N:10][CH2:11][c:12]1[n:13]-2[c:14]([CH2:17][OH:18])[n:15][n:16]1.[c:27]1([CH2:33][C:34](=[O:35])[OH:36])[cH:28][cH:29][cH:30][cH:31][cH:32]1

Participants

5

Reactant 3

HCID 962WaterHCID 316205phenylacetic anhydrideHCID 19865756(6-(2-Chlorophenyl)-8-nitro-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-1-yl)methanol

Product 2

HCID 999Phenylacetic AcidHCID 19865756(6-(2-Chlorophenyl)-8-nitro-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-1-yl)methanol

Sources & evidence

ORD record
ord-da790bb938754cc8adedfa5382307700
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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