Acetic Acid → 3-(3,4-Methylenedioxybenzylamino)-4-phenoxy-5-sulphamyl-benzoic acid
Reaction equation
[CH3:46][C:47](=[O:48])[OH:49].[CH:22](=[O:23])[c:24]1[cH:25][cH:26][c:27]2[c:31]([cH:32]1)[O:30][CH2:29][O:28]2.[H:44][H:45].[NH2:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][c:9]([S:18]([NH2:19])(=[O:20])=[O:21])[c:10]1[O:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1.[Pt:50]=[O:51].[c:33]1([CH3:34])[cH:35][cH:36][c:37]([S:38]([OH:39])(=[O:40])=[O:41])[cH:42][cH:43]1>>[NH:1]([c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][c:9]([S:18]([NH2:19])(=[O:20])=[O:21])[c:10]1[O:11][c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[CH2:22][c:24]1[cH:25][cH:26][c:27]2[c:31]([cH:32]1)[O:30][CH2:29][O:28]2Participants
7
Sources & evidence
- ORD record
- ord-e63c9ac5ea8c4223bcd748770d635380
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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