Acetic Acid → HCID 178434956, compound
Reaction equation
[C:71]([OH:72])(=[O:73])[CH3:74].[CH3:31][CH2:32][N:33]=[C:34]=[N:35][CH2:36][CH2:37][CH2:38][N:39]([CH3:40])[CH3:41].[CH3:61][N:62]1[CH2:63][CH2:64][O:65][CH2:66][CH2:67]1.[Cl:68][CH2:69][Cl:70].[OH:42][n:43]1[c:44]2[c:45]([cH:46][cH:47][cH:48][cH:49]2)[n:50][n:51]1.[OH:52][CH2:53][c:54]1[o:55][c:56](=[O:60])[o:57][c:58]1[CH3:59].[c:1]1(-[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:2][cH:3][c:4]([CH2:7][CH:8]([CH2:9][C:10]([C:11](=[O:12])[OH:13])([CH3:14])[CH2:15][OH:16])[NH:17][C:18](=[O:19])[c:20]2[nH:21][n:22][n:23][cH:24]2)[cH:5][cH:6]1>>[c:1]1(-[c:25]2[cH:26][cH:27][cH:28][cH:29][cH:30]2)[cH:2][cH:3][c:4]([CH2:7][CH:8]([CH2:9][C:10]([C:11]([O:12][CH2:53][c:54]2[o:55][c:56](=[O:60])[o:57][c:58]2[CH3:59])=[O:13])([CH3:14])[CH2:15][OH:16])[NH:17][C:18](=[O:19])[c:20]2[nH:21][n:22][n:23][cH:24]2)[cH:5][cH:6]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-3a6509c438d84ade91bd7d89af7fc8b7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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