Benzenesulfonyl chloride → 3-(3-{[Benzenesulfonyl-(4-isobutyl-benzyl)-amino]-methyl}-phenyl)-propionic acid methyl ester
Reaction equation
[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[cH:7][c:8]([CH2:12][NH:13][CH2:14][c:15]2[cH:16][cH:17][c:18]([CH2:21][CH:22]([CH3:23])[CH3:24])[cH:19][cH:20]2)[cH:9][cH:10][cH:11]1)=[O:25].[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[c:26]1([S:32](=[O:33])(=[O:34])[Cl:35])[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[CH3:1][O:2][C:3]([CH2:4][CH2:5][c:6]1[cH:7][c:8]([CH2:12][N:13]([CH2:14][c:15]2[cH:16][cH:17][c:18]([CH2:21][CH:22]([CH3:23])[CH3:24])[cH:19][cH:20]2)[S:32]([c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)(=[O:33])=[O:34])[cH:9][cH:10][cH:11]1)=[O:25]Participants
4
Sources & evidence
- ORD record
- ord-41e58800242e4af8a9cd8e2a16884c92
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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