Acetic Acid → HCID 18973024, compound

HRID 146685Notes

Reaction equation

HRID 146685 reaction equation
[CH3:19][C:20]#[N:21].[CH3:23][C:24]([OH:25])=[O:26].[CH3:27][S:28]([CH3:29])=[O:30].[Cl:1][c:2]1[cH:3][n:4][c:5]2[c:9]([cH:10]1)[NH:8][C:7](=[O:11])[CH:6]2[C:12](=[O:13])[c:14]1[o:15][cH:16][cH:17][cH:18]1.[OH2:22]>>[Cl:1][c:2]1[cH:3][n:4][c:5]2[c:9]([cH:10]1)[N:8]([C:20]([NH2:21])=[O:25])[C:7](=[O:11])[CH:6]2[C:12](=[O:13])[c:14]1[o:15][cH:16][cH:17][cH:18]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 679Dimethyl SulfoxideHCID 962WaterHCID 6342AcetonitrileHCID 18973061HCID 18973061, compound

Product 1

HCID 18973024HCID 18973024, compound

Sources & evidence

ORD record
ord-3035bb630b7f4a6e84bad9f2bc6c060c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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