Water → 4-[3-({1-[Bis-(4-chlorophenyl)methyl]azetidin-3-ylidene}methanesulfonylmethyl)phenyl]piperazine-1-carboxylic acid methyl ester
Reaction equation
[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[Cl:12][c:13]1[cH:14][cH:15][c:16]([CH:19]([N:20]2[CH2:21][C:22](=[CH:24][S:25](=[O:26])(=[O:27])[CH2:28][c:29]3[cH:30][c:31]([N:35]4[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]4)[cH:32][cH:33][cH:34]3)[CH2:23]2)[c:41]2[cH:42][cH:43][c:44]([Cl:47])[cH:45][cH:46]2)[cH:17][cH:18]1.[Cl:7][C:8](=[O:9])[O:10][CH3:11].[OH2:54].[cH:1]1[cH:2][cH:3][n:4][cH:5][cH:6]1>>[C:8](=[O:9])([O:10][CH3:11])[N:38]1[CH2:37][CH2:36][N:35]([c:31]2[cH:30][c:29]([CH2:28][S:25]([CH:24]=[C:22]3[CH2:21][N:20]([CH:19]([c:16]4[cH:15][cH:14][c:13]([Cl:12])[cH:18][cH:17]4)[c:41]4[cH:42][cH:43][c:44]([Cl:47])[cH:45][cH:46]4)[CH2:23]3)(=[O:26])=[O:27])[cH:34][cH:33][cH:32]2)[CH2:40][CH2:39]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-fc37c839d01543abb0e167c234624717
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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