Isopropanol → 1-(5-Tert-butylisoxazol-3-yl)-3-[3-(7-ethoxy-6-methoxyquinazolin-4-ylthio)phenyl]urea
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:10][C:11](=[O:12])[NH:13][c:14]2[cH:15][c:16]([SH:20])[cH:17][cH:18][cH:19]2)[n:8][o:9]1.[C:37](=[O:38])([O-:39])[O-:40].[CH:43]([OH:44])([CH3:45])[CH3:46].[Cl:21][c:22]1[n:23][cH:24][n:25][c:26]2[cH:27][c:28]([O:34][CH2:35][CH3:36])[c:29]([O:32][CH3:33])[cH:30][c:31]12.[Cs+:41].[Cs+:42]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([NH:10][C:11](=[O:12])[NH:13][c:14]2[cH:15][c:16]([S:20][c:22]3[n:23][cH:24][n:25][c:26]4[cH:27][c:28]([O:34][CH2:35][CH3:36])[c:29]([O:32][CH3:33])[cH:30][c:31]34)[cH:17][cH:18][cH:19]2)[n:8][o:9]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-4c1b6eb058e04139a88fdf8a717b26fe
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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