Acetic Acid → HCID 22134907, compound

HRID 208079Notes

Reaction equation

HRID 208079 reaction equation
[C:44]([BH3-:45])#[N:46].[CH3:36][C:37]([CH3:38])=[O:39].[CH3:40][C:41](=[O:42])[OH:43].[CH3:48][OH:49].[CH3:8][O:9][c:10]1[cH:11][cH:12][c:13]([C:14](=[O:15])[NH:16][CH:17]([CH2:18][NH:19][C:20](=[O:21])[CH:22]2[CH2:23][CH2:24][NH:25][CH2:26][CH2:27]2)[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:34][cH:35]1.[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[Na+:47]>>[CH3:8][O:9][c:10]1[cH:11][cH:12][c:13]([C:14](=[O:15])[NH:16][CH:17]([CH2:18][NH:19][C:20](=[O:21])[CH:22]2[CH2:23][CH2:24][N:25]([CH:37]([CH3:36])[CH3:38])[CH2:26][CH2:27]2)[c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[cH:34][cH:35]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 180AcetoneHCID 887MethanolHCID 923Sodium ionHCID 6422Trifluoroacetic acidHCID 498716Cyano-borohydrideHCID 22135083HCID 22135083, compound

Product 1

HCID 22134907HCID 22134907, compound

Sources & evidence

ORD record
ord-ca98e1d73b624acdb6fbc62a78b0b911
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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