Acetic Acid → HCID 21906290, compound

HRID 2349612Notes

Reaction equation

HRID 2349612 reaction equation
[C:29]([BH3-:30])#[N:31].[C:33]([OH:34])(=[O:35])[CH3:36].[CH3:25][C:26]([CH3:27])=[O:28].[CH3:37][OH:38].[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:8][C:9]([c:10]2[c:11]([NH:16][CH2:17][CH:18]3[CH2:19][CH2:20][NH:21][CH2:22][CH2:23]3)[cH:12][cH:13][cH:14][cH:15]2)=[O:24])[n:6][cH:7]1.[Na+:32].[Na+:40].[OH-:39]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:8][C:9]([c:10]2[c:11]([NH:16][CH2:17][CH:18]3[CH2:19][CH2:20][N:21]([CH:26]([CH3:25])[CH3:27])[CH2:22][CH2:23]3)[cH:12][cH:13][cH:14][cH:15]2)=[O:24])[n:6][cH:7]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 180AcetoneHCID 887MethanolHCID 923Sodium ion2×HCID 961HydroxideHCID 498716Cyano-borohydrideHCID 21906555HCID 21906555, compound

Product 1

HCID 21906290HCID 21906290, compound

Sources & evidence

ORD record
ord-44c20136294d43e8b0aa2c73d3243800
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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