Acetic Acid → HCID 76677964, compound
Reaction equation
[C:58]([O:59][BH-:60]([O:61][C:62](=[O:63])[CH3:64])[O:65][C:66](=[O:67])[CH3:68])(=[O:69])[CH3:70].[CH2:32]([CH:33]([CH3:34])[CH3:35])[O:36][CH:37]([CH3:38])[O:39][NH:40][C:41](=[O:42])[c:43]1[cH:44][c:45]2[c:46]([s:47]1)[cH:48][c:49]([CH:52]=[O:53])[cH:50][cH:51]2.[CH3:54][C:55](=[O:56])[OH:57].[CH:1]1([O:6][C:7]([CH:8]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[N:15]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:23][c:24]2[cH:25][c:26]([NH2:30])[cH:27][cH:28][cH:29]2)=[O:31])[CH2:2][CH2:3][CH2:4][CH2:5]1.[Cl:72][CH2:73][Cl:74].[Na+:71]>>[CH:1]1([O:6][C:7]([CH:8]([c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[N:15]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:23][c:24]2[cH:25][c:26]([NH:30][CH2:52][c:49]3[cH:48][c:46]4[c:45]([cH:44][c:43]([C:41]([NH:40][O:39][CH:37]([O:36][CH2:32][CH:33]([CH3:34])[CH3:35])[CH3:38])=[O:42])[s:47]4)[cH:51][cH:50]3)[cH:27][cH:28][cH:29]2)=[O:31])[CH2:2][CH2:3][CH2:4][CH2:5]1Participants
7
Sources & evidence
- ORD record
- ord-794fccdea6a24ca48974b29c5074f372
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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