Acetic Acid → HCID 178474548, compound
Reaction equation
[CH2:39]([OH:40])[CH3:41].[CH3:32][C:33](=[O:34])[O:35][C:36](=[O:37])[CH3:38].[CH3:46][C:47](=[O:48])[OH:49].[Cl:42][CH2:43][Cl:44].[Cl:45].[NH2:1][CH2:2][CH:3]1[N:4]([C:8](=[O:9])[c:10]2[c:11]([Cl:31])[cH:12][c:13]([C:14](=[O:15])[NH:16][CH:17]([CH3:18])[c:19]3[n:20][c:21]4[c:22]([nH:23]3)[cH:24][cH:25][c:26]([Cl:28])[cH:27]4)[cH:29][cH:30]2)[CH2:5][CH2:6][CH2:7]1>>[NH:1]([CH2:2][CH:3]1[N:4]([C:8](=[O:9])[c:10]2[c:11]([Cl:31])[cH:12][c:13]([C:14](=[O:15])[NH:16][CH:17]([CH3:18])[c:19]3[n:20][c:21]4[c:22]([nH:23]3)[cH:24][cH:25][c:26]([Cl:28])[cH:27]4)[cH:29][cH:30]2)[CH2:5][CH2:6][CH2:7]1)[C:33]([CH3:32])=[O:34]Participants
7
Sources & evidence
- ORD record
- ord-acf9a13df14c4906915b61b0a361234c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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