Acetic Acid → HCID 178441650, compound

HRID 90318Notes

Reaction equation

HRID 90318 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][cH:7][c:8]([C:30]#[N:31])[c:9]([NH:11][CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:19]3[c:20](-[c:25]4[n:26][n:27][n:28][nH:29]4)[cH:21][cH:22][cH:23][cH:24]3)[cH:17][cH:18]2)[n:10]1.[CH3:32][C:33]([OH:34])=[O:35].[K+:37].[OH-:36]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][cH:7][c:8]([C:30]([NH2:31])=[O:34])[c:9]([NH:11][CH2:12][c:13]2[cH:14][cH:15][c:16](-[c:19]3[c:20](-[c:25]4[n:26][n:27][n:28][nH:29]4)[cH:21][cH:22][cH:23][cH:24]3)[cH:17][cH:18]2)[n:10]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 813Potassium CationHCID 961HydroxideHCID 178441648HCID 178441648, compound

Product 1

HCID 178441650HCID 178441650, compound

Sources & evidence

ORD record
ord-5011853afcfe455aa283340a7de0b2a2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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