Bicarbonate Ion → 1-(4-(2-(2-Hydroxyphenyl)-7-methylquinazolin-4-yl)piperazin-1-yl)-4-(methylthio)butane-1,2-dione
Reaction equation
[CH3:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([N:19]3[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]3)[n:7][c:8](-[c:12]3[c:13]([OH:18])[cH:14][cH:15][cH:16][cH:17]3)[n:9][c:10]2[cH:11]1.[CH3:25][S:26][CH2:27][CH2:28][C:29]([C:30](=[O:31])[O-:32])=[O:33].[CH3:35][CH2:36][N:37]([CH2:38][CH3:39])[CH2:40][CH3:41].[Cl:47][CH2:48][Cl:49].[Na+:34].[Na+:46].[O-:42][C:43]([OH:44])=[O:45]>>[CH3:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([N:19]3[CH2:20][CH2:21][N:22]([C:30]([C:29]([CH2:28][CH2:27][S:26][CH3:25])=[O:33])=[O:31])[CH2:23][CH2:24]3)[n:7][c:8](-[c:12]3[c:13]([OH:18])[cH:14][cH:15][cH:16][cH:17]3)[n:9][c:10]2[cH:11]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-3ed1b1a88c624b1d91bf2ed309a1cebd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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