Acetic Acid → HCID 178474331, compound
Reaction equation
[C:1]([CH3:3])([CH3:4])([O:5][C:6](=[O:2])[NH:8][CH:9]1[CH:10]([N:20]2[C:21](=[O:36])[CH:22]([NH:25][C:26]([O:27][CH2:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)=[O:35])[CH2:23][CH2:24]2)[CH2:11][CH2:12][CH:13]([N:15]([CH3:16])[CH:17]([CH3:18])[CH3:19])[CH2:14]1)[CH3:7].[CH3:37][S:38](=[O:39])(=[O:40])[OH:41].[CH3:42][C:43]([O:44][C:45](=[O:46])[CH3:47])=[O:48].[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[CH3:58][C:59](=[O:60])[OH:61].[CH3:62][CH2:63][N:64]([CH2:65][CH3:66])[CH2:67][CH3:68].[Na+:50].[OH-:49]>>[O:5]=[C:6]([NH:8][CH:9]1[CH:10]([N:20]2[C:21](=[O:36])[CH:22]([NH:25][C:26]([O:27][CH2:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)=[O:35])[CH2:23][CH2:24]2)[CH2:11][CH2:12][CH:13]([N:15]([CH3:16])[CH:17]([CH3:18])[CH3:19])[CH2:14]1)[CH3:37]Participants
9
Sources & evidence
- ORD record
- ord-b44ce0724e374c8888bf5d716e2cf78a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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