2,6-Dimethylbenzoic acid → HCID 68970441, compound
Reaction equation
[CH3:29][c:30]1[c:31]([C:32](=[O:33])[OH:34])[c:35]([CH3:39])[cH:36][cH:37][cH:38]1.[NH2:1][CH2:2][CH2:3][CH:4]([CH3:5])[N:6]1[CH2:7][CH2:8][CH:9]([C:12]2([c:21]3[cH:22][cH:23][c:24]([C:25]#[N:26])[cH:27][cH:28]3)[O:13][c:14]3[c:15]([cH:17][cH:18][cH:19][cH:20]3)[O:16]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]([C:12]2([c:21]3[cH:22][cH:23][c:24]([C:25]#[N:26])[cH:27][cH:28]3)[O:13][c:14]3[c:15]([cH:17][cH:18][cH:19][cH:20]3)[O:16]2)[CH2:10][CH2:11]1)[C:32]([c:31]1[c:30]([CH3:29])[cH:38][cH:37][cH:36][c:35]1[CH3:39])=[O:33]Participants
3
Sources & evidence
- ORD record
- ord-355c01a98b9c4cb6ac5b6cdd10586b9a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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