3-Chlorobenzoic Acid → HCID 9985517, compound
Reaction equation
[CH2:51]([Cl:52])[Cl:53].[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:35][CH3:36])[C:27](=[O:34])[CH:28]=[C:29]([O:32][CH3:33])[C:30]2=[O:31])[C:7](=[O:37])[C:6]([O:38][CH3:39])=[CH:5][C:4]1=[O:40].[Cl:41][c:42]1[cH:43][c:44]([C:49](=[O:46])[OH:50])[cH:45][cH:47][cH:48]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:35][CH3:36])[C:27](=[O:34])[CH:28]=[C:29]([O:32][CH3:33])[C:30]3=[O:31])[O:46]2)[C:7](=[O:37])[C:6]([O:38][CH3:39])=[CH:5][C:4]1=[O:40]Participants
4
Sources & evidence
- ORD record
- ord-cd071cb7f8324780abed45f45e8ff59a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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