Acetic Acid → HCID 59605461, compound
Reaction equation
[C:44]([O:45][BH-:46]([O:47][C:48](=[O:49])[CH3:50])[O:51][C:52](=[O:53])[CH3:54])(=[O:55])[CH3:56].[CH3:40][C:41](=[O:42])[OH:43].[CH:33]([O:34][CH3:35])([O:36][CH3:37])[O:38][CH3:39].[Cl:1][c:2]1[n:3][c:4]([N:15]2[CH2:16][CH2:17][O:18][CH2:19][CH2:20]2)[c:5]2[n:6][c:7]([CH2:12][CH:13]=[O:14])[n:8]([CH3:11])[c:9]2[n:10]1.[N:21]1([C:27]([C:28](=[O:29])[NH2:30])([CH3:31])[CH3:32])[CH2:22][CH2:23][NH:24][CH2:25][CH2:26]1.[Na+:57]>>[Cl:1][c:2]1[n:3][c:4]([N:15]2[CH2:16][CH2:17][O:18][CH2:19][CH2:20]2)[c:5]2[n:6][c:7]([CH2:12][CH2:13][N:24]3[CH2:23][CH2:22][N:21]([C:27]([C:28](=[O:29])[NH2:30])([CH3:31])[CH3:32])[CH2:26][CH2:25]3)[n:8]([CH3:11])[c:9]2[n:10]1Participants
7
Sources & evidence
- ORD record
- ord-1510b3484abc4439bd8c01b602540955
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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