Acetic Acid → HCID 68457788, compound
Reaction equation
[C:2]([NH2:3])(=[O:4])[CH2:5][O:6][c:7]1[cH:8][c:9]([C:10](=[O:11])[NH:12][CH:13]2[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]2)[cH:19][c:20]([O:22][CH3:23])[cH:21]1.[C:39]([BH3-:40])#[N:41].[CH2:24]([CH3:25])[O:26][c:27]1[cH:28][c:29]([CH:30]=[O:31])[cH:32][c:33]([O:36][CH2:37][CH3:38])[c:34]1[F:35].[CH2:43]([N:44]([CH:45]([CH3:46])[CH3:47])[CH:48]([CH3:49])[CH3:50])[CH3:51].[CH3:52][CH2:53][OH:54].[CH3:55][C:56](=[O:57])[OH:58].[ClH:1].[Na+:42]>>[C:2]([NH2:3])(=[O:4])[CH2:5][O:6][c:7]1[cH:8][c:9]([C:10](=[O:11])[NH:12][CH:13]2[CH2:14][CH2:15][N:16]([CH2:30][c:29]3[cH:28][c:27]([O:26][CH2:24][CH3:25])[c:34]([F:35])[c:33]([O:36][CH2:37][CH3:38])[cH:32]3)[CH2:17][CH2:18]2)[cH:19][c:20]([O:22][CH3:23])[cH:21]1Participants
9
Sources & evidence
- ORD record
- ord-6787be156e73499d94eb78a0d8f59704
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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