Acetic Acid → HCID 9953232, compound

HRID 2331977Notes

Reaction equation

HRID 2331977 reaction equation
[CH3:30][C:31]([O:32][C:33](=[O:34])[CH3:35])=[O:36].[CH3:37][C:38](=[O:39])[OH:40].[Cl:1][c:2]1[n:3][n:4](-[c:17]2[cH:18][cH:19][c:20]([O:23][CH3:24])[cH:21][cH:22]2)[c:5](-[c:7]2[cH:8][cH:9][c:10]([S:13](=[O:14])(=[O:15])[CH3:16])[cH:11][cH:12]2)[cH:6]1.[OH2:29].[OH:25][N+:26]([O-:27])=[O:28]>>[Cl:1][c:2]1[n:3][n:4](-[c:17]2[cH:18][c:19]([N+:26](=[O:25])[O-:27])[c:20]([O:23][CH3:24])[cH:21][cH:22]2)[c:5](-[c:7]2[cH:8][cH:9][c:10]([S:13](=[O:14])(=[O:15])[CH3:16])[cH:11][cH:12]2)[cH:6]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 944Nitric AcidHCID 962WaterHCID 7918Acetic AnhydrideHCID 18355394HCID 18355394, compound

Product 1

HCID 9953232HCID 9953232, compound

Sources & evidence

ORD record
ord-f4d5f707a0854330afa733aab5a9eacb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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