Acetic Acid → HCID 178434763, compound
Reaction equation
[CH3:19][N:20]([C:21]1([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[CH2:22][CH2:23][C:24](=[O:27])[CH2:25][CH2:26]1)[CH3:34].[CH3:42][C:43](=[O:44])[OH:45].[Na+:35].[Na+:36].[O-:37][S:38](=[O:39])(=[O:40])[O-:41].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[nH:1]1[cH:2][c:3]([CH2:10][CH:11]([NH2:12])[c:13]2[n:14][c:15]([CH3:18])[n:16][o:17]2)[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12>>[nH:1]1[cH:2][c:3]([CH2:10][CH:11]([NH:12][CH:24]2[CH2:23][CH2:22][C:21]([N:20]([CH3:19])[CH3:34])([c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[CH2:26][CH2:25]2)[c:13]2[n:14][c:15]([CH3:18])[n:16][o:17]2)[c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]12Participants
7
Sources & evidence
- ORD record
- ord-98008de0b63f43a490ddf11db414a2ff
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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