3-Chlorobenzoic Acid → HCID 10460980, compound
Reaction equation
[CH2:52]([Cl:53])[Cl:54].[CH3:1][O:2][C:3]1=[C:8]([CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH:16]=[CH:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][C:25]2=[C:26]([O:36][CH3:37])[C:27](=[O:35])[C:28]([CH3:34])=[C:29]([O:32][CH3:33])[C:30]2=[O:31])[C:7](=[O:38])[C:6]([O:39][CH3:40])=[CH:5][C:4]1=[O:41].[Cl:42][c:43]1[cH:44][c:45]([C:50](=[O:47])[OH:51])[cH:46][cH:48][cH:49]1>>[CH3:1][O:2][C:3]1=[C:8]([CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH:16]2[CH:17]([CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][C:25]3=[C:26]([O:36][CH3:37])[C:27](=[O:35])[C:28]([CH3:34])=[C:29]([O:32][CH3:33])[C:30]3=[O:31])[O:47]2)[C:7](=[O:38])[C:6]([O:39][CH3:40])=[CH:5][C:4]1=[O:41]Participants
4
Sources & evidence
- ORD record
- ord-521214df4eb64b77a152d32e4a2d274d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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