Acetic Acid → HCID 23442339, compound

HRID 208511Notes

Reaction equation

HRID 208511 reaction equation
[BrH:25].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[c:10]3[c:11](=[O:23])[c:12]4[c:13]([nH:14][c:15]3[cH:16][cH:17][cH:18]2)[cH:19][n:20][n:21]4[CH3:22])[cH:7][cH:8]1.[CH3:26][C:27](=[O:28])[OH:29].[OH2:24]>>[OH:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[c:10]3[c:11](=[O:23])[c:12]4[c:13]([nH:14][c:15]3[cH:16][cH:17][cH:18]2)[cH:19][n:20][n:21]4[CH3:22])[cH:7][cH:8]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 260Hydrogen BromideHCID 962WaterHCID 23442332HCID 23442332, compound

Product 1

HCID 23442339HCID 23442339, compound

Sources & evidence

ORD record
ord-5d5e2bacdc444c3ab613c92381e63fb7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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