Acetic Acid → HCID 12902871, compound

HRID 283975Notes

Reaction equation

HRID 283975 reaction equation
[CH3:1][c:2]1[c:3]([N+:23](=[O:24])[O-:25])[o:4][c:5]2[c:6]1[cH:7][c:8](-[c:11]1[cH:12][cH:13][c:14]([CH2:17][C:18](=[O:19])[O:20][CH2:21][CH3:22])[cH:15][cH:16]1)[cH:9][cH:10]2.[CH3:26][C:27](=[O:28])[OH:29].[ClH:30].[OH2:31]>>[CH3:1][c:2]1[c:3]([N+:23](=[O:24])[O-:25])[o:4][c:5]2[c:6]1[cH:7][c:8](-[c:11]1[cH:12][cH:13][c:14]([CH2:17][C:18](=[O:19])[OH:20])[cH:15][cH:16]1)[cH:9][cH:10]2

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 962WaterHCID 23455900HCID 23455900, compound

Product 1

HCID 12902871HCID 12902871, compound

Sources & evidence

ORD record
ord-ba3136baf51440aaa1c9d34240716d67
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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