Acetic Acid → HCID 178486425, compound
Reaction equation
[C:24]([BH3-:25])#[N:26].[CH2:22]=[O:23].[CH3:1][O:2][c:3]1[c:4]([Cl:21])[cH:5][c:6]2[c:7]([cH:20]1)[CH:8]1[CH:9]([NH:10][CH2:11][CH2:12]2)[CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]21.[CH3:28][C:29](=[O:30])[OH:31].[CH3:32][C:33]#[N:34].[Na+:27]>>[CH3:1][O:2][c:3]1[c:4]([Cl:21])[cH:5][c:6]2[c:7]([cH:20]1)[CH:8]1[CH:9]([N:10]([CH3:24])[CH2:11][CH2:12]2)[CH2:13][c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]21Participants
7
Sources & evidence
- ORD record
- ord-398cf7fbf6334885af15fd0cab8f400c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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