Acetic Acid → HCID 68954445, compound
Reaction equation
[C:22]([BH3-:23])#[N:24].[C:26](=[O:27])([OH:28])[O-:29].[C:9]([CH3:10])([CH3:11])([CH3:12])[O:13][C:14](=[O:15])[N:16]1[CH:17]([CH:20]=[O:21])[CH2:18][CH2:19]1.[CH3:31][OH:32].[CH3:33][C:34](=[O:35])[OH:36].[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH2:6])[cH:7][cH:8]1.[Na+:25].[Na+:30]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:6][CH2:20][CH:17]2[N:16]([C:14]([O:13][C:9]([CH3:10])([CH3:11])[CH3:12])=[O:15])[CH2:19][CH2:18]2)[cH:7][cH:8]1Participants
8
Sources & evidence
- ORD record
- ord-9bcced0152e2407f873273992f2d34ce
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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