Acetic Acid → HCID 178441755, compound
Reaction equation
[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6]([CH2:7][N:8]2[CH2:9][c:10]3[cH:11][cH:12][cH:13][cH:14][c:15]3[CH2:16][CH:17]2[CH:18]([CH:19]([CH2:20][c:21]2[cH:22][c:23]([F:28])[cH:24][c:25]([F:27])[cH:26]2)[NH:29][C:30]([CH:31]([CH2:32][CH2:33][c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[N:40]2[C:41](=[O:53])[C:42]([CH:45]([CH3:46])[CH2:47][CH3:48])([NH:49][C:50]([CH3:51])=[O:52])[CH2:43][CH2:44]2)=[O:54])[OH:55])[cH:56][cH:57]1.[CH3:58][C:59](=[O:60])[OH:61].[CH3:62][OH:63]>>[NH:8]1[CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][c:15]2[CH2:16][CH:17]1[CH:18]([CH:19]([CH2:20][c:21]1[cH:22][c:23]([F:28])[cH:24][c:25]([F:27])[cH:26]1)[NH:29][C:30]([CH:31]([CH2:32][CH2:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[N:40]1[C:41](=[O:53])[C:42]([CH:45]([CH3:46])[CH2:47][CH3:48])([NH:49][C:50]([CH3:51])=[O:52])[CH2:43][CH2:44]1)=[O:54])[OH:55]Participants
4
Sources & evidence
- ORD record
- ord-ed089fe545cb4b12898fcb4e471caa14
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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