Acetic Acid → HCID 18509232, compound

HRID 2328796Notes

Reaction equation

HRID 2328796 reaction equation
[CH3:25][C:26](=[O:27])[OH:28].[Cl:1][c:2]1[cH:3][cH:4][c:5]([NH:6][S:7](=[O:8])(=[O:9])[c:10]2[cH:11][cH:12][c:13]([CH2:16][CH3:17])[cH:14][cH:15]2)[cH:18][cH:19]1.[OH2:24].[OH:20][N+:21]([O-:22])=[O:23]>>[Cl:1][c:2]1[cH:3][c:4]([N+:21](=[O:20])[O-:22])[c:5]([NH:6][S:7](=[O:8])(=[O:9])[c:10]2[cH:11][cH:12][c:13]([CH2:16][CH3:17])[cH:14][cH:15]2)[cH:18][cH:19]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 944Nitric AcidHCID 962WaterHCID 5056961HCID 5056961, compound

Product 1

HCID 18509232HCID 18509232, compound

Sources & evidence

ORD record
ord-c4fa8a401af84a0cbb4b6c5d418752e4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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