Sodium ion → 1-(5-Tert-butyl-isoxazol-3-yl)-3-{3-[7-(3-chloro-propoxy)-6-methoxy-quinazolin-4-ylsulfanyl]-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.[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[Cl:23][c:24]1[n:25][cH:26][n:27][c:28]2[cH:29][c:30]([O:36][CH2:37][CH2:38][CH2:39][Cl:40])[c:31]([O:34][CH3:35])[cH:32][c:33]12.[H-:22].[Na+:21].[O:46]=[CH:47][N:48]([CH3:49])[CH3:50]>>[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:24]3[n:25][cH:26][n:27][c:28]4[cH:29][c:30]([O:36][CH2:37][CH2:38][CH2:39][Cl:40])[c:31]([O:34][CH3:35])[cH:32][c:33]34)[cH:17][cH:18][cH:19]2)[n:8][o:9]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-327ea001b87f420ca884956fd33306f5
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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