2-Chloro-6-methylbenzoic acid → HCID 68973588, compound
Reaction equation
[Cl:46][c:47]1[c:48]([C:49](=[O:50])[OH:51])[c:52]([CH3:56])[cH:53][cH:54][cH:55]1.[NH2:1][CH2:2][CH2:3][CH:4]([CH3:5])[N:6]1[CH2:7][CH2:8][CH:9]([N:12]([c:13]2[cH:14][cH:15][c:16]([S:19](=[O:20])(=[O:21])[N:22]([CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[CH2:30][c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[cH:17][cH:18]2)[CH2:37][c:38]2[c:39]([F:45])[cH:40][cH:41][c:42]([Cl:44])[cH:43]2)[CH2:10][CH2:11]1>>[NH:1]([CH2:2][CH2:3][CH:4]([CH3:5])[N:6]1[CH2:7][CH2:8][CH:9]([N:12]([c:13]2[cH:14][cH:15][c:16]([S:19](=[O:20])(=[O:21])[N:22]([CH2:23][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)[CH2:30][c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[cH:17][cH:18]2)[CH2:37][c:38]2[c:39]([F:45])[cH:40][cH:41][c:42]([Cl:44])[cH:43]2)[CH2:10][CH2:11]1)[C:49]([c:48]1[c:47]([Cl:46])[cH:55][cH:54][cH:53][c:52]1[CH3:56])=[O:50]Participants
3
Sources & evidence
- ORD record
- ord-d65015acd8bd4f3dbfe3fb048e712980
- Source dataset
- Validation data from https://doi.org/10.1039/C8SC04228D
Reaction notes
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