4-Methylsulfonylbenzylamine → 1-Isoquinolin-5-yl-3-[(4-methylsulfonylphenyl)methyl]urea
Reaction equation
[CH2:30]1[CH2:31][CH2:32][C:33]2=[N:38][CH2:37][CH2:36][CH2:35][N:34]2[CH2:39][CH2:40]1.[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH2:9][NH2:10])[cH:11][cH:12]1.[Cl:13][C:14]([C:15](=[O:16])[NH:17][c:18]1[c:19]2[cH:20][cH:21][n:22][cH:23][c:24]2[cH:25][cH:26][cH:27]1)([Cl:28])[Cl:29]>>[CH3:1][S:2](=[O:3])(=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH2:9][NH:10][C:15](=[O:16])[NH:17][c:18]2[c:19]3[cH:20][cH:21][n:22][cH:23][c:24]3[cH:25][cH:26][cH:27]2)[cH:11][cH:12]1Participants
4
Sources & evidence
- ORD record
- ord-6b4c2755021e46c2bce438a0961483ec
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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