Toluene → N-[3-fluoro-4-(trifluoromethyl)benzyl]-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:28]([N:29]([CH2:30][CH3:31])[CH:32]([CH3:33])[CH3:34])([CH3:35])[CH3:36].[F:1][c:2]1[c:3]([C:12]([F:13])([F:14])[F:15])[cH:4][cH:5][c:6]([CH2:8][N:9]=[C:10]=[O:11])[cH:7]1.[NH2:16][c:17]1[c:18]2[cH:19][c:20]([CH3:27])[n:21][cH:22][c:23]2[cH:24][cH:25][cH:26]1>>[F:1][c:2]1[c:3]([C:12]([F:13])([F:14])[F:15])[cH:4][cH:5][c:6]([CH2:8][NH:9][C:10](=[O:11])[NH:16][c:17]2[c:18]3[cH:19][c:20]([CH3:27])[n:21][cH:22][c:23]3[cH:24][cH:25][cH:26]2)[cH:7]1Participants
5
Sources & evidence
- ORD record
- ord-03e164ce01fa440288a3027dad5366af
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
Loading…