Sodium ion → N-methyl-6-(6-methyl-1-(3-(trifluoromethyl)phenoxy)isoquinolin-5-yl)quinazolin-2-amine
Reaction equation
[CH3:24][NH:25][c:26]1[n:27][c:28]2[cH:29][cH:30][c:31]([B:36]3[O:37][C:38]([CH3:39])([CH3:40])[C:41]([CH3:42])([CH3:43])[O:44]3)[cH:32][c:33]2[cH:34][n:35]1.[I:1][c:2]1[c:3]2[cH:4][cH:5][n:6][c:7]([O:13][c:14]3[cH:15][c:16]([C:20]([F:21])([F:22])[F:23])[cH:17][cH:18][cH:19]3)[c:8]2[cH:9][cH:10][c:11]1[CH3:12].[Na+:45].[Na+:46].[O-:47][C:48](=[O:49])[O-:50].[OH2:51]>>[c:2]1(-[c:31]2[cH:30][cH:29][c:28]3[n:27][c:26]([NH:25][CH3:24])[n:35][cH:34][c:33]3[cH:32]2)[c:3]2[cH:4][cH:5][n:6][c:7]([O:13][c:14]3[cH:15][c:16]([C:20]([F:21])([F:22])[F:23])[cH:17][cH:18][cH:19]3)[c:8]2[cH:9][cH:10][c:11]1[CH3:12]Participants
6
Sources & evidence
- ORD record
- ord-315157fb1a7c44ff88bfc233724d095b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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