N,N-Dimethylglycine → 1-{4-[3-({1-[Bis-(4-chlorophenyl)methyl]azetidin-3-ylidene}methanesulfonylmethyl)phenyl]piperazin-1-yl}-2-dimethylaminoethanone
Reaction equation
[CH3:12][N:13]([CH3:14])[CH2:15][C:16]([OH:17])=[O:18].[CH3:1][CH2:2][N:3]=[C:4]=[N:5][CH2:6][CH2:7][CH2:8][N:9]([CH3:10])[CH3:11].[Cl:19][c:20]1[cH:21][cH:22][c:23]([CH:26]([N:27]2[CH2:28][C:29](=[CH:31][S:32](=[O:33])(=[O:34])[CH2:35][c:36]3[cH:37][c:38]([N:42]4[CH2:43][CH2:44][NH:45][CH2:46][CH2:47]4)[cH:39][cH:40][cH:41]3)[CH2:30]2)[c:48]2[cH:49][cH:50][c:51]([Cl:54])[cH:52][cH:53]2)[cH:24][cH:25]1.[Cl:55][CH2:56][Cl:57]>>[CH3:12][N:13]([CH3:14])[CH2:15][C:16](=[O:18])[N:45]1[CH2:44][CH2:43][N:42]([c:38]2[cH:37][c:36]([CH2:35][S:32]([CH:31]=[C:29]3[CH2:28][N:27]([CH:26]([c:23]4[cH:22][cH:21][c:20]([Cl:19])[cH:25][cH:24]4)[c:48]4[cH:49][cH:50][c:51]([Cl:54])[cH:52][cH:53]4)[CH2:30]3)(=[O:33])=[O:34])[cH:41][cH:40][cH:39]2)[CH2:47][CH2:46]1Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-48cd67ad67aa4300b976f19b288b7477
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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