Water → 4-Acetyl 1-[3-({1-[bis-(4-chlorophenyl)methyl]azetidin-3-ylidene}methanesulfonylmethyl)phenyl]piperazine
Reaction equation
[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[CH3:7][C:8]([O:9][C:11]([CH3:12])=[O:13])=[O:10].[Cl:14][c:15]1[cH:16][cH:17][c:18]([CH:21]([N:22]2[CH2:23][C:24](=[CH:26][S:27](=[O:28])(=[O:29])[CH2:30][c:31]3[cH:32][c:33]([N:37]4[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]4)[cH:34][cH:35][cH:36]3)[CH2:25]2)[c:43]2[cH:44][cH:45][c:46]([Cl:49])[cH:47][cH:48]2)[cH:19][cH:20]1.[OH2:56].[cH:1]1[cH:2][cH:3][n:4][cH:5][cH:6]1>>[C:11]([CH3:12])(=[O:13])[N:40]1[CH2:39][CH2:38][N:37]([c:33]2[cH:32][c:31]([CH2:30][S:27]([CH:26]=[C:24]3[CH2:23][N:22]([CH:21]([c:18]4[cH:17][cH:16][c:15]([Cl:14])[cH:20][cH:19]4)[c:43]4[cH:44][cH:45][c:46]([Cl:49])[cH:47][cH:48]4)[CH2:25]3)(=[O:28])=[O:29])[cH:36][cH:35][cH:34]2)[CH2:42][CH2:41]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-97bb0926f5c043348f595d7925139dd2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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