Sodium ion → 1-(5-tert-Butyl-isoxazol-3-yl)-3-{3-[7-(2-chloro-ethoxy)-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.[CH2:40]1[O:41][CH2:42][CH2:43][CH2:44]1.[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[Cl:23][c:24]1[n:25][cH:26][n:27][c:28]2[cH:29][c:30]([O:36][CH2:37][CH2:38][Cl:39])[c:31]([O:34][CH3:35])[cH:32][c:33]12.[H-:22].[Na+:21].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49]>>[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][Cl:39])[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-8e7a75e0c0d340828a5c61dd14c5035f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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