Acetic Acid → HCID 85432458, compound
Reaction equation
[C:26]([O:27][BH-:28]([O:29][C:30](=[O:31])[CH3:32])[O:33][C:34](=[O:35])[CH3:36])(=[O:37])[CH3:38].[C:44]([BH3-:45])#[N:46].[CH3:1][CH2:2][C:3]([CH2:4][CH3:5])=[O:6].[CH3:40][C:41](=[O:42])[OH:43].[CH3:7][C:8]([CH2:9][CH2:10][CH3:11])([CH3:12])[c:13]1[n:14][n:15][c:16]([NH:18][C:19]([CH:20]([CH2:21][CH2:22][CH3:23])[NH2:24])=[O:25])[s:17]1.[Cl:48][CH2:49][Cl:50].[Na+:39].[Na+:47].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55]>>[CH3:1][CH2:2][CH:3]([CH2:4][CH3:5])[NH:24][CH:20]([C:19]([NH:18][c:16]1[n:15][n:14][c:13]([C:8]([CH3:7])([CH2:9][CH2:10][CH3:11])[CH3:12])[s:17]1)=[O:25])[CH2:21][CH2:22][CH3:23]Participants
9
Sources & evidence
- ORD record
- ord-0b8baf005f704a20a461a9e6209443b2
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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