Sodium ion → 1-(5-Tert-butylisoxazol-3-yl)-3-(3-(7-methoxy-6-(3-(methylsulfonyl)propoxy)quinazolin-4-ylthio)phenyl)urea
Reaction equation
[C:3]([CH3:4])([CH3:5])([CH3:6])[c:7]1[cH:8][c:9]([NH:12][C:13](=[O:14])[NH:15][c:16]2[cH:17][c:18]([SH:22])[cH:19][cH:20][cH:21]2)[n:10][o:11]1.[C:50]([O:51][CH2:52][CH3:53])(=[O:54])[CH3:55].[Cl:23][c:24]1[n:25][cH:26][n:27][c:28]2[cH:29][c:30]([O:42][CH3:43])[c:31]([O:34][CH2:35][CH2:36][CH2:37][S:38](=[O:39])(=[O:40])[CH3:41])[cH:32][c:33]12.[H-:1].[Na+:2].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH2:49]>>[C:3]([CH3:4])([CH3:5])([CH3:6])[c:7]1[cH:8][c:9]([NH:12][C:13](=[O:14])[NH:15][c:16]2[cH:17][c:18]([S:22][c:24]3[n:25][cH:26][n:27][c:28]4[cH:29][c:30]([O:42][CH3:43])[c:31]([O:34][CH2:35][CH2:36][CH2:37][S:38](=[O:39])(=[O:40])[CH3:41])[cH:32][c:33]34)[cH:19][cH:20][cH:21]2)[n:10][o:11]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-1a3d0914190f4ae8b903c9560470f290
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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