Isopropanol → tert-butyl 5-(2-(3-nitrophenyl)quinazolin-4-ylamino)-1H-indazole-1-carboxylate
Reaction equation
[CH:38]([OH:39])([CH3:40])[CH3:41].[Cl:1][c:2]1[n:3][c:4](-[c:12]2[cH:13][c:14]([N+:18](=[O:19])[O-:20])[cH:15][cH:16][cH:17]2)[n:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12.[NH2:21][c:22]1[cH:23][c:24]2[cH:25][n:26][n:27]([C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[c:28]2[cH:29][cH:30]1>>[c:2]1([NH:21][c:22]2[cH:23][c:24]3[cH:25][n:26][n:27]([C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[c:28]3[cH:29][cH:30]2)[n:3][c:4](-[c:12]2[cH:13][c:14]([N+:18](=[O:19])[O-:20])[cH:15][cH:16][cH:17]2)[n:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12Participants
4
Sources & evidence
- ORD record
- ord-d99f12d0d53845038a8e31d73aadbded
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)