4-(Chloromethyl)pyridine → 5-Phenyl-4-[(4-phenylbutyl)amino]-2-(pyridin-4-ylmethyl)isothiazol-3(2H)-one 1,1-dioxide
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[N:5]1[S:6](=[O:28])(=[O:29])[C:7]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)=[C:8]([NH:11][CH2:12][CH2:13][CH2:14][CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[C:9]1=[O:10].[Cl:30][CH2:31][c:32]1[cH:33][cH:34][n:35][cH:36][cH:37]1>>[N:5]1([CH2:31][c:32]2[cH:33][cH:34][n:35][cH:36][cH:37]2)[S:6](=[O:28])(=[O:29])[C:7]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)=[C:8]([NH:11][CH2:12][CH2:13][CH2:14][CH2:15][c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[C:9]1=[O:10]Participants
3
Sources & evidence
- ORD record
- ord-4418501b154c4b2dad65283924fba504
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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