Acetic Acid → HCID 69213333, compound

HRID 204401Notes

Reaction equation

HRID 204401 reaction equation
[CH3:29][C:30](=[O:31])[OH:32].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([CH3:19])[O:9][C:10](=[O:18])[NH:11][c:12]3[c:13]2[cH:14][cH:15][cH:16][cH:17]3)[cH:6][cH:7]1.[OH:25][N+:26]([O-:27])=[O:28].[S:20](=[O:21])(=[O:22])([OH:23])[OH:24]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]2([CH3:19])[O:9][C:10](=[O:18])[NH:11][c:12]3[c:13]2[cH:14][c:15]([N+:26](=[O:25])[O-:27])[cH:16][cH:17]3)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 944Nitric AcidHCID 1118Sulfuric AcidHCID 69213011HCID 69213011, compound

Product 1

HCID 69213333HCID 69213333, compound

Sources & evidence

ORD record
ord-668d3fdc19124d66aeee65b9138e2d42
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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