Acetic Acid → HCID 58965023, compound
Reaction equation
[Br-:42].[C:1]([OH:2])(=[O:3])[CH3:4].[C:23](=[O:24])([O-:25])[O-:26].[CH3:43][CH2:44][CH2:45][CH2:46][N+:47]([CH2:48][CH2:49][CH2:50][CH3:51])([CH2:52][CH2:53][CH2:54][CH3:55])[CH2:56][CH2:57][CH2:58][CH3:59].[Cl:35][CH2:36][c:37]1[n:38][cH:39][s:40][cH:41]1.[ClH:34].[Cs+:27].[Cs+:28].[NH2:5][c:6]1[n:7][c:8]2[cH:9][c:10]([OH:22])[cH:11][cH:12][c:13]2[c:14]2[c:15]1[n:16][c:17]([CH2:19][CH2:20][CH3:21])[s:18]2.[O:29]=[CH:30][N:31]([CH3:32])[CH3:33].[OH2:60]>>[NH2:5][c:6]1[n:7][c:8]2[cH:9][c:10]([O:22][CH2:36][c:37]3[n:38][cH:39][s:40][cH:41]3)[cH:11][cH:12][c:13]2[c:14]2[c:15]1[n:16][c:17]([CH2:19][CH2:20][CH3:21])[s:18]2Participants
11
Reactant 10
Product 1
Sources & evidence
- ORD record
- ord-a0813621f0a840979fbe36b94181b57a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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