Acetic Acid → HCID 67103346, compound
Reaction equation
[C:21]([BH3-:22])#[N:23].[CH2:1]([CH3:2])[O:3][CH:4]([CH2:5][CH2:6][CH2:7][NH:8][CH2:9][c:10]1[cH:11][cH:12][c:13]([C:14]#[N:15])[cH:16][cH:17]1)[O:18][CH2:19][CH3:20].[CH2:25]=[O:26].[CH3:27][C:28](=[O:29])[OH:30].[CH3:31][OH:32].[Na+:24]>>[CH2:1]([CH3:2])[O:3][CH:4]([CH2:5][CH2:6][CH2:7][N:8]([CH2:9][c:10]1[cH:11][cH:12][c:13]([C:14]#[N:15])[cH:16][cH:17]1)[CH3:21])[O:18][CH2:19][CH3:20]Participants
7
Sources & evidence
- ORD record
- ord-b6de87d6abe84fbd88f8b7e07ec3dfe6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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