Bicarbonate Ion → 3-Butyryl-4-(2-isopropylphenylamino)-8(2-methylsulfinylethoxy)quinoline
Reaction equation
[C:1]([CH2:2][CH2:3][CH3:4])(=[O:5])[c:6]1[cH:7][n:8][c:9]2[c:10]([O:26][CH2:27][CH2:28][S:29][CH3:30])[cH:11][cH:12][cH:13][c:14]2[c:15]1[NH:16][c:17]1[c:18]([CH:23]([CH3:24])[CH3:25])[cH:19][cH:20][cH:21][cH:22]1.[CH2:47]([Cl:48])[Cl:49].[Na+:35].[O-:31][C:32]([OH:33])=[O:34].[OH2:50].[OH:36][O:37][C:38]([c:39]1[cH:40][c:41]([Cl:42])[cH:43][cH:44][cH:45]1)=[O:46]>>[C:1]([CH2:2][CH2:3][CH3:4])(=[O:5])[c:6]1[cH:7][n:8][c:9]2[c:10]([O:26][CH2:27][CH2:28][S:29]([CH3:30])=[O:31])[cH:11][cH:12][cH:13][c:14]2[c:15]1[NH:16][c:17]1[c:18]([CH:23]([CH3:24])[CH3:25])[cH:19][cH:20][cH:21][cH:22]1Participants
7
Sources & evidence
- ORD record
- ord-d946b0d43c75457ca50d398d4ea0eee3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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