Dichloromethane → 2-tert-Butyl-4-[(3-chloropropyl)amino]-5-phenylisothiazol-3(2H)-one 1,1-dioxide
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[S:6](=[O:22])(=[O:23])[C:7]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)=[C:8]([NH:11][CH2:12][CH2:13][CH2:14][OH:15])[C:9]1=[O:10].[CH3:24][c:25]1[cH:26][cH:27][c:28]([S:29](=[O:30])(=[O:31])[Cl:34])[cH:32][cH:33]1.[CH3:38][N:39]([c:40]1[cH:41][cH:42][n:43][cH:44][cH:45]1)[CH3:46].[Cl:35][CH2:36][Cl:37]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[S:6](=[O:22])(=[O:23])[C:7]([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)=[C:8]([NH:11][CH2:12][CH2:13][CH2:14][Cl:34])[C:9]1=[O:10]Participants
5
Sources & evidence
- ORD record
- ord-745397301aba43fd90c7f5eaf0cbeb1e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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