Acetic Acid → HCID 70634419, compound
Reaction equation
[CH3:47][C:48](=[O:49])[OH:50].[CH3:6][C:7]1=[C:12]([C:13](=[O:14])[O:15][CH2:16][CH2:17][O:18][CH2:19][CH3:20])[CH:11]([c:21]2[cH:22][c:23]([N+:27](=[O:28])[O-:29])[cH:24][cH:25][cH:26]2)[C:10]([C:30](=[O:31])[O:32][CH2:33][CH2:34][O:35][CH2:36][CH3:37])=[C:9]([CH3:38])[NH:8]1.[Cl:41][CH2:42][O:43][CH2:44][CH3:45].[H-:39].[Na+:40].[O:1]1[CH2:2][CH2:3][CH2:4][CH2:5]1.[OH2:46]>>[O:1]([CH2:2][CH3:3])[CH2:5][N:8]1[C:7]([CH3:6])=[C:12]([C:13](=[O:14])[O:15][CH2:16][CH2:17][O:18][CH2:19][CH3:20])[CH:11]([c:21]2[cH:22][c:23]([N+:27](=[O:28])[O-:29])[cH:24][cH:25][cH:26]2)[C:10]([C:30](=[O:31])[O:32][CH2:33][CH2:34][O:35][CH2:36][CH3:37])=[C:9]1[CH3:38]Participants
8
Sources & evidence
- ORD record
- ord-f2157b7335c24e78b86f8cc2708692d3
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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