Acetic Acid → 3-{6-[1-Methyl-1-(methylsulfonyl)ethyl]quinolin-8-yl}benzoic acid
Reaction equation
[C:30]([OH:31])(=[O:32])[CH3:33].[CH2:34]1[O:35][CH2:36][CH2:37][CH2:38]1.[CH3:1][C:2]([CH3:3])([S:4](=[O:5])(=[O:6])[CH3:7])[c:8]1[cH:9][c:10]2[cH:11][cH:12][cH:13][n:14][c:15]2[c:16](-[c:18]2[cH:19][c:20]([C:21](=[O:22])[O:23][CH3:24])[cH:25][cH:26][cH:27]2)[cH:17]1.[Li+:29].[OH-:28].[OH2:39]>>[CH3:1][C:2]([CH3:3])([S:4](=[O:5])(=[O:6])[CH3:7])[c:8]1[cH:9][c:10]2[cH:11][cH:12][cH:13][n:14][c:15]2[c:16](-[c:18]2[cH:19][c:20]([C:21](=[O:22])[OH:23])[cH:25][cH:26][cH:27]2)[cH:17]1Participants
7
Sources & evidence
- ORD record
- ord-79f241bc36a946ca92a6a023077b85c7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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