Isopropanol → 1-(5-Tert-butylisoxazol-3-yl)-3-[3-(7,8-dihydro-[1,4]dioxino[2,3-g]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:36](=[O:37])([O-:38])[O-:39].[CH:42]([OH:43])([CH3:44])[CH3:45].[Cl:21][c:22]1[n:23][cH:24][n:25][c:26]2[cH:27][c:28]3[c:29]([cH:30][c:31]12)[O:32][CH2:33][CH2:34][O:35]3.[Cs+:40].[Cs+:41]>>[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]5[c:29]([cH:30][c:31]34)[O:32][CH2:33][CH2:34][O:35]5)[cH:17][cH:18][cH:19]2)[n:8][o:9]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-13f27e99c3664596b080fab0164a7253
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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