Acetic Acid → HCID 68455590, compound
Reaction equation
[C:38]([BH3-:39])#[N:40].[CH2:23]([CH3:24])[O:25][c:26]1[cH:27][c:28]([CH:29]=[O:30])[cH:31][c:32]([O:35][CH2:36][CH3:37])[c:33]1[F:34].[CH2:42]([N:43]([CH:44]([CH3:45])[CH3:46])[CH:47]([CH3:48])[CH3:49])[CH3:50].[CH3:1][O:2][C:3]([C:4]([CH3:5])([c:6]1[cH:7][cH:8][c:9]([C:12]([NH:13][CH:14]2[CH2:15][CH2:16][NH:17][CH2:18][CH2:19]2)=[O:20])[cH:10][cH:11]1)[CH3:21])=[O:22].[CH3:51][CH2:52][OH:53].[CH3:54][C:55](=[O:56])[OH:57].[Na+:41]>>[CH3:1][O:2][C:3]([C:4]([CH3:5])([c:6]1[cH:7][cH:8][c:9]([C:12]([NH:13][CH:14]2[CH2:15][CH2:16][N:17]([CH2:29][c:28]3[cH:27][c:26]([O:25][CH2:23][CH3:24])[c:33]([F:34])[c:32]([O:35][CH2:36][CH3:37])[cH:31]3)[CH2:18][CH2:19]2)=[O:20])[cH:10][cH:11]1)[CH3:21])=[O:22]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-6555066ecfd04b81bba365aca81562b6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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