Acetic Acid → HCID 178455678, compound
Reaction equation
[CH3:34][C:35](=[O:36])[OH:37].[F:1][C:2]([CH2:3][CH2:4][CH:5]1[CH2:6][CH:7]([CH:11]([CH2:12][c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[NH:19][C:20](=[O:21])[c:22]2[n:23][c:24]3[cH:25][cH:26][cH:27][cH:28][c:29]3[n:30][cH:31]2)[O:8][C:9]1=[O:10])([CH3:32])[CH3:33].[NH2:38][CH2:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[O:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1.[OH2:52]>>[F:1][C:2]([CH2:3][CH2:4][CH:5]([CH2:6][CH:7]([OH:8])[CH:11]([CH2:12][c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[NH:19][C:20](=[O:21])[c:22]1[n:23][c:24]2[cH:25][cH:26][cH:27][cH:28][c:29]2[n:30][cH:31]1)[C:9](=[O:10])[NH:38][CH2:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1)([CH3:32])[CH3:33]Participants
6
Sources & evidence
- ORD record
- ord-46578e3bac2e46239929ee97e5d5aedd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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