Acetic Acid → HCID 25160456, compound
Reaction equation
[C:39]([BH3-:40])#[N:41].[CH3:43][C:44](=[O:45])[OH:46].[F:1][CH:2]([CH2:3][n:4]1[n:5][c:6]2[c:7]([CH:14]([CH3:15])[O:16][CH2:17][C:18]3([c:31]4[cH:32][cH:33][c:34]([F:37])[cH:35][cH:36]4)[CH2:19][CH2:20][N:21]([C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[CH2:22][CH2:23]3)[cH:8][c:9]([CH3:13])[cH:10][c:11]2[cH:12]1)[F:38].[Na+:42].[OH:47][C:48]([C:49]([F:50])([F:51])[F:52])=[O:53]>>[F:1][CH:2]([CH2:3][n:4]1[n:5][c:6]2[c:7]([CH:14]([CH3:15])[O:16][CH2:17][C:18]3([c:31]4[cH:32][cH:33][c:34]([F:37])[cH:35][cH:36]4)[CH2:19][CH2:20][N:21]([CH3:24])[CH2:22][CH2:23]3)[cH:8][c:9]([CH3:13])[cH:10][c:11]2[cH:12]1)[F:38]Participants
6
Sources & evidence
- ORD record
- ord-080ab6fc288a4a1db3de4975bfa9d211
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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