Acetic Acid → HCID 22287472, compound

HRID 1210351Notes

Reaction equation

HRID 1210351 reaction equation
[CH3:33][C:34](=[O:35])[OH:36].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[Cl-:32].[ClH:38].[I-:31].[N:22]([O-:23])=[O:24].[NH2:1][c:2]1[c:3]([N+:19](=[O:20])[O-:21])[cH:4][cH:5][c:6]([S:8][c:9]2[cH:10][cH:11][c:12]([NH:15][C:16]([CH3:17])=[O:18])[cH:13][cH:14]2)[cH:7]1.[NH2:26][S:27](=[O:28])(=[O:29])[OH:30].[Na+:25].[OH2:37]>>[c:2]1([Cl:32])[c:3]([N+:19](=[O:20])[O-:21])[cH:4][cH:5][c:6]([S:8][c:9]2[cH:10][cH:11][c:12]([NH:15][C:16]([CH3:17])=[O:18])[cH:13][cH:14]2)[cH:7]1

Participants

11

Reactant 10

HCID 176Acetic AcidHCID 312ChlorideHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 946NitriteHCID 962WaterHCID 1140TolueneHCID 5987Sulfamic AcidHCID 30165Iodide IonHCID 13705241HCID 13705241, compound

Product 1

HCID 22287472HCID 22287472, compound

Sources & evidence

ORD record
ord-01d7961c4df9494d97c4e55eccdd085e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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