Isopropanol → 1-(5-tert-butylisoxazol-3-yl)-3-{3-[7-methoxy-5-(tetrahydro-2H-pyran-4-yloxy)quinazolin-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:41](=[O:42])([O-:43])[O-:44].[CH:47]([OH:48])([CH3:49])[CH3:50].[Cl:21][c:22]1[n:23][cH:24][n:25][c:26]2[cH:27][c:28]([O:39][CH3:40])[cH:29][c:30]([O:32][CH:33]3[CH2:34][CH2:35][O:36][CH2:37][CH2:38]3)[c:31]12.[Cs+:45].[Cs+:46]>>[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:39][CH3:40])[cH:29][c:30]([O:32][CH:33]5[CH2:34][CH2:35][O:36][CH2:37][CH2:38]5)[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-880aa6b1ccdb4c06bff66a06299e92dd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
Loading…