Water → 1-[[2-Methoxy-5-(1-methylethyl)phenyl]methyl]-4-(phenylsulfonyl)-piperazine
Reaction equation
[CH3:11][O:12][c:13]1[c:14]([CH2:22][N:23]2[CH2:24][CH2:25][NH:26][CH2:27][CH2:28]2)[cH:15][c:16]([CH:19]([CH3:20])[CH3:21])[cH:17][cH:18]1.[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[Cl:37][CH2:38][Cl:39].[OH2:36].[c:1]1([S:7](=[O:8])(=[O:9])[Cl:10])[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1([S:7](=[O:8])(=[O:9])[N:26]2[CH2:25][CH2:24][N:23]([CH2:22][c:14]3[c:13]([O:12][CH3:11])[cH:18][cH:17][c:16]([CH:19]([CH3:20])[CH3:21])[cH:15]3)[CH2:28][CH2:27]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1Participants
6
Sources & evidence
- ORD record
- ord-97a5e35708104a2a92d940c9ef702440
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
Loading…