Acetic Acid → HCID 178467571, compound

HRID 694248Notes

Reaction equation

HRID 694248 reaction equation
[C:36]([BH3-:37])#[N:38].[CH3:40][C:41](=[O:42])[OH:43].[Cl:1][c:2]1[n:3][nH:4][c:5]2[c:6]([CH:12]([CH3:13])[O:14][CH2:15][C:16]3([c:29]4[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]4)[CH2:17][CH2:18][N:19]([C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[CH2:20][CH2:21]3)[cH:7][c:8]([Cl:11])[cH:9][c:10]12.[Na+:39].[OH:44][C:45]([C:46]([F:47])([F:48])[F:49])=[O:50]>>[Cl:1][c:2]1[n:3][nH:4][c:5]2[c:6]([CH:12]([CH3:13])[O:14][CH2:15][C:16]3([c:29]4[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]4)[CH2:17][CH2:18][N:19]([CH3:22])[CH2:20][CH2:21]3)[cH:7][c:8]([Cl:11])[cH:9][c:10]12

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 923Sodium ionHCID 6422Trifluoroacetic acidHCID 498716Cyano-borohydrideHCID 178467576HCID 178467576, compound

Product 1

HCID 178467571HCID 178467571, compound

Sources & evidence

ORD record
ord-c4032875a41e43b7a0baadca170f3ba0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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