Acetic Acid → HCID 25160848, compound

HRID 166507Notes

Reaction equation

HRID 166507 reaction equation
[C:38]([BH3-:39])#[N:40].[CH3:42][C:43](=[O:44])[OH:45].[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([CH2:21][O:22][CH2:23][c:24]3[cH:25][c:26]([C:34]([F:35])([F:36])[F:37])[cH:27][c:28]4[n:29]([CH3:33])[n:30][n:31][c:32]34)[CH2:9][CH2:10][N:11]([C:14]([O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20])[CH2:12][CH2:13]2)[cH:6][cH:7]1.[Na+:41].[OH:46][C:47]([C:48]([F:49])([F:50])[F:51])=[O:52]>>[F:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([CH2:21][O:22][CH2:23][c:24]3[cH:25][c:26]([C:34]([F:35])([F:36])[F:37])[cH:27][c:28]4[n:29]([CH3:33])[n:30][n:31][c:32]34)[CH2:9][CH2:10][N:11]([CH3:14])[CH2:12][CH2:13]2)[cH:6][cH:7]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 6422Trifluoroacetic acidHCID 498716Cyano-borohydrideHCID 57546199HCID 57546199, compound

Product 1

HCID 25160848HCID 25160848, compound

Sources & evidence

ORD record
ord-74143cbade164f469290bbf6771be02d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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