Acetic Acid → HCID 86649245, compound
Reaction equation
[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:43][C:44](=[O:45])[OH:46].[CH:1](=[O:2])[c:3]1[cH:4][c:5]([C:14](=[O:15])[O:16][CH2:17][CH3:18])[c:6](=[O:13])[n:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12.[Cl-:19].[Cl:47][CH:48]([Cl:49])[CH3:50].[F:20][C:21]([c:22]1[cH:23][cH:24][c:25]([CH:28]2[CH2:29][CH2:30][NH2+:31][CH2:32][CH2:33]2)[cH:26][cH:27]1)([F:34])[F:35]>>[CH2:1]([c:3]1[cH:4][c:5]([C:14](=[O:15])[O:16][CH2:17][CH3:18])[c:6](=[O:13])[n:7]2[cH:8][cH:9][cH:10][cH:11][c:12]12)[N:31]1[CH2:30][CH2:29][CH:28]([c:25]2[cH:24][cH:23][c:22]([C:21]([F:20])([F:34])[F:35])[cH:27][cH:26]2)[CH2:33][CH2:32]1Participants
7
Sources & evidence
- ORD record
- ord-f624c167a51142e884a6c7b990f74c23
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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