Acetic Acid → HCID 68997193, compound
Reaction equation
[C:36]([O:37][BH-:38]([O:39][C:40](=[O:41])[CH3:42])[O:43][C:44](=[O:45])[CH3:46])(=[O:47])[CH3:48].[CH3:25][N:26]([CH2:27][CH2:28][NH:29][CH3:30])[CH3:31].[CH3:32][C:33](=[O:34])[OH:35].[Cl:50][CH:51]([Cl:52])[CH3:53].[Na+:49].[OH2:54].[nH:1]1[n:2][c:3]([CH:10]=[CH:11][c:12]2[c:13](-[n:18]3[cH:19][c:20]([CH:23]=[O:24])[cH:21][cH:22]3)[cH:14][cH:15][cH:16][cH:17]2)[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12>>[nH:1]1[n:2][c:3]([CH:10]=[CH:11][c:12]2[c:13](-[n:18]3[cH:19][c:20]([CH2:23][N:29]([CH2:28][CH2:27][N:26]([CH3:25])[CH3:31])[CH3:30])[cH:21][cH:22]3)[cH:14][cH:15][cH:16][cH:17]2)[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12Participants
8
Sources & evidence
- ORD record
- ord-82ea4e4582f840e2a0c3ad458699cb55
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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