Acetic Acid → HCID 178437890, compound

HRID 282521Notes

Reaction equation

HRID 282521 reaction equation
[CH3:28][C:29](=[O:30])[OH:31].[CH:1]1([n:6]2[nH:7][c:8]([CH2:20][CH3:21])[c:9]3[c:14](=[O:15])[n:13][c:12]([S:16]([CH3:17])(=[O:18])=[O:19])[n:11][c:10]2-3)[CH2:2][CH2:3][CH2:4][CH2:5]1.[OH2:27].[nH:22]1[cH:23][n:24][cH:25][cH:26]1>>[CH:1]1([n:6]2[nH:7][c:8]([CH2:20][CH3:21])[c:9]3[c:14](=[O:15])[n:13][c:12](-[n:22]4[cH:23][n:24][cH:25][cH:26]4)[n:11][c:10]2-3)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 795ImidazoleHCID 962WaterHCID 178437894HCID 178437894, compound

Product 1

HCID 178437890HCID 178437890, compound

Sources & evidence

ORD record
ord-7778db42cae9488398111a0963aaf59b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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