Acetic Acid → HCID 86647047, compound
Reaction equation
[C:11]([OH:12])(=[O:13])[CH3:14].[C:28]([BH3-:29])#[N:30].[CH3:1][S:2](=[O:3])(=[O:4])[N:5]1[CH2:6][CH2:7][NH:8][CH2:9][CH2:10]1.[CH3:25][CH2:26][OH:27].[Cl:15][c:16]1[c:17]([Cl:24])[n:18][cH:19][c:20]([CH:21]=[O:22])[cH:23]1.[Na+:31]>>[CH3:1][S:2](=[O:3])(=[O:4])[N:5]1[CH2:6][CH2:7][N:8]([CH2:21][c:20]2[cH:19][n:18][c:17]([Cl:24])[c:16]([Cl:15])[cH:23]2)[CH2:9][CH2:10]1Participants
7
Sources & evidence
- ORD record
- ord-56301894930c41c382cd62a82bfe5338
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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