Acetic Acid → HCID 86641330, compound
Reaction equation
[C:1]([BH3-:2])#[N:3].[CH3:45][OH:46].[CH3:51][C:52](=[O:53])[OH:54].[CH3:5][O:6][c:7]1[c:8]([CH3:44])[c:9]([CH2:14][N:15]2[N:16]=[C:17]3[C:18]4=[C:22]([C:21](=[O:42])[CH2:20][C:19]4=[N:43]2)[CH2:23][S:24][N:25]=[C:26]3[N:27]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[n:10][cH:11][c:12]1[CH3:13].[CH:47]1([NH2:50])[CH2:48][CH2:49]1.[Na+:4].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1>>[CH3:5][O:6][c:7]1[c:8]([CH3:44])[c:9]([CH2:14][N:15]2[N:16]=[C:17]3[C:18]4=[C:22]([CH:21]([NH:50][CH:47]5[CH2:48][CH2:49]5)[CH2:20][C:19]4=[N:43]2)[CH2:23][S:24][N:25]=[C:26]3[N:27]([C:28](=[O:29])[O:30][C:31]([CH3:32])([CH3:33])[CH3:34])[C:35](=[O:36])[O:37][C:38]([CH3:39])([CH3:40])[CH3:41])[n:10][cH:11][c:12]1[CH3:13]Participants
8
Sources & evidence
- ORD record
- ord-186a740a282440c8b5b27e262eaa5efd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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