Toluene → N-(4-isopropylbenzyl)-N'-(3-methyl-5-isoquinolinyl)urea
Reaction equation
[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH:16]([N:17]([CH2:18][CH3:19])[CH:20]([CH3:21])[CH3:22])([CH3:23])[CH3:24].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH2:8][NH2:9])[cH:10][cH:11]1.[Cl:12][C:13]([Cl:14])=[O:15].[NH2:25][c:26]1[c:27]2[cH:28][c:29]([CH3:36])[n:30][cH:31][c:32]2[cH:33][cH:34][cH:35]1>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH2:8][NH:9][C:13](=[O:15])[NH:25][c:26]2[c:27]3[cH:28][c:29]([CH3:36])[n:30][cH:31][c:32]3[cH:33][cH:34][cH:35]2)[cH:10][cH:11]1Participants
6
Sources & evidence
- ORD record
- ord-39454fd7d5e0447f998f799d74efb39b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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