Citric Acid → 2-[1-[8-Chloro-2-(1,2-dihydroxyethyl)quinolin-3-yl]ethyl]isoindole-1,3-dione
Reaction equation
[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[CH3:27][N+:28]1([O-:29])[CH2:30][CH2:32][O:31][CH2:33][CH2:34]1.[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]([CH:14]([CH3:15])[N:16]3[C:17](=[O:26])[c:18]4[cH:19][cH:20][cH:21][cH:22][c:23]4[C:24]3=[O:25])[c:9]([CH:12]=[CH2:13])[n:10][c:11]12.[OH2:35].[OH:47][C:48]([CH2:49][C:50]([C:51](=[O:52])[OH:53])([CH2:54][C:55](=[O:56])[OH:57])[OH:58])=[O:59]>>[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]([CH:14]([CH3:15])[N:16]3[C:17](=[O:26])[c:18]4[cH:19][cH:20][cH:21][cH:22][c:23]4[C:24]3=[O:25])[c:9]([CH:12]([CH2:13][OH:35])[OH:31])[n:10][c:11]12Participants
7
Sources & evidence
- ORD record
- ord-03f1e229797a4abfa2de4ca78dedf610
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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