Acetic Acid → HCID 59603423, compound
Reaction equation
[C:43]([O:44][BH-:45]([O:46][C:47](=[O:48])[CH3:49])[O:50][C:51](=[O:52])[CH3:53])(=[O:54])[CH3:55].[CH3:39][C:40](=[O:41])[OH:42].[CH:32]([O:33][CH3:34])([O:35][CH3:36])[O:37][CH3:38].[Cl:1][c:2]1[n:3][c:4]([N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[c:5]2[c:6]([n:7]1)[c:8]([CH3:13])[c:9]([CH:11]=[O:12])[s:10]2.[N:20]1([C:26]([C:27](=[O:28])[NH2:29])([CH3:30])[CH3:31])[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]1.[Na+:56]>>[Cl:1][c:2]1[n:3][c:4]([N:14]2[CH2:15][CH2:16][O:17][CH2:18][CH2:19]2)[c:5]2[c:6]([n:7]1)[c:8]([CH3:13])[c:9]([CH2:11][N:23]1[CH2:22][CH2:21][N:20]([C:26]([C:27](=[O:28])[NH2:29])([CH3:30])[CH3:31])[CH2:25][CH2:24]1)[s:10]2Participants
7
Sources & evidence
- ORD record
- ord-fb879aa5596349339d8eefd62b6d60a3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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