Water → 1-(5-Tert-butyl-isoxazol-3-yl)-3-(3-{6-[3-(1,1-dioxo-thiomorpholin-4-yl)-propoxy]-7-methoxy-quinazolin-4-yloxy}-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]([O:20][c:21]3[n:22][cH:23][n:24][c:25]4[cH:26][c:27]([O:36][CH3:37])[c:28]([O:31][CH2:32][CH2:33][CH2:34][Cl:35])[cH:29][c:30]34)[cH:17][cH:18][cH:19]2)[n:8][o:9]1.[CH2:47]([N+:48]([CH2:49][CH2:50][CH2:51][CH3:52])([CH2:53][CH2:54][CH2:55][CH3:56])[CH2:57][CH2:58][CH2:59][CH3:60])[CH2:61][CH2:62][CH3:63].[I-:46].[OH2:64].[S:38]1(=[O:44])(=[O:45])[CH2:39][CH2:40][NH:41][CH2:42][CH2:43]1>>[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]([O:20][c:21]3[n:22][cH:23][n:24][c:25]4[cH:26][c:27]([O:36][CH3:37])[c:28]([O:31][CH2:32][CH2:33][CH2:34][N:41]5[CH2:40][CH2:39][S:38](=[O:44])(=[O:45])[CH2:43][CH2:42]5)[cH:29][c:30]34)[cH:17][cH:18][cH:19]2)[n:8][o:9]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-0c526ada91bc430bbf077074fd65510d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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