Isopropanol → 1-(5-Tert-butylisoxazol-3-yl)-3-[3-(6,7-diethoxyquinazolin-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:38](=[O:39])([O-:40])[O-:41].[CH:44]([OH:45])([CH3:46])[CH3:47].[Cl:21][c:22]1[n:23][cH:24][n:25][c:26]2[cH:27][c:28]([O:35][CH2:36][CH3:37])[c:29]([O:32][CH2:33][CH3:34])[cH:30][c:31]12.[Cs+:42].[Cs+:43]>>[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:35][CH2:36][CH3:37])[c:29]([O:32][CH2:33][CH3:34])[cH:30][c:31]34)[cH:17][cH:18][cH:19]2)[n:8][o:9]1Participants
6
Sources & evidence
- ORD record
- ord-aa89d01fe3794e7e9ca4a8bd6f43d7f1
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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