Water → 5-Amino-3-isopentylthio-4-phenylbenzoic acid

HRID 282698Notes

Reaction equation

HRID 282698 reaction equation
[CH2:1]([O:2][c:3]1[cH:4][c:5]([C:18]([OH:19])=[O:20])[cH:6][c:7]([N+:8]([O-:9])=[O:10])[c:11]1-[c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1.[CH2:27]([CH2:28][CH:29]([CH3:30])[CH3:31])[S:32][c:33]1[cH:34][c:35]([C:36](=[O:37])[OH:38])[cH:39][c:40]([N+:48]([O-:49])=[O:50])[c:41]1-[c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1.[OH2:51]>>[CH2:27]([CH2:28][CH:29]([CH3:30])[CH3:31])[S:32][c:33]1[cH:34][c:35]([C:36](=[O:37])[OH:38])[cH:39][c:40]([NH2:48])[c:41]1-[c:42]1[cH:43][cH:44][cH:45][cH:46][cH:47]1

Participants

4

Reactant 3

HCID 962WaterHCID 215468443-Benzyloxy-5-nitro-4-phenylbenzoic acidHCID 215468493-Isopentylthio-5-nitro-4-phenylbenzoic acid

Product 1

HCID 215468865-Amino-3-isopentylthio-4-phenylbenzoic acid

Sources & evidence

ORD record
ord-413054735d4c4532826f1ce2b615e331
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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