2-Chloro-6-methylbenzoic acid → HCID 178499779, compound
Reaction equation
[Cl:28][c:29]1[c:30]([C:31](=[O:32])[OH:33])[c:34]([CH3:38])[cH:35][cH:36][cH:37]1.[NH2:1][CH:2]([C:3](=[O:4])[O:5][CH3:6])[CH2:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[c:15](=[O:27])[n:16]([CH3:26])[c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]3[c:23]2[O:24][CH3:25])[cH:12][cH:13]1>>[NH:1]([CH:2]([C:3](=[O:4])[O:5][CH3:6])[CH2:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[c:15](=[O:27])[n:16]([CH3:26])[c:17]3[cH:18][cH:19][cH:20][cH:21][c:22]3[c:23]2[O:24][CH3:25])[cH:12][cH:13]1)[C:31]([c:30]1[c:29]([Cl:28])[cH:37][cH:36][cH:35][c:34]1[CH3:38])=[O:32]Participants
3
Sources & evidence
- ORD record
- ord-48cfca01ef6c46a7b6ed2341e6056723
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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