Acetic Acid → 2-Chloro-1-nitro-4-(phenylsulfanyl)benzene

HRID 682292Notes

Reaction equation

HRID 682292 reaction equation
[CH3:25][c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1.[CH3:32][C:33](=[O:34])[OH:35].[Cl-:22].[ClH:36].[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([NH2:6])[cH:7][c:8]([S:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:9][cH:10]1.[N:18]([O-:19])=[O:20].[N:23]#[N:24].[Na+:21].[OH2:37]>>[N+:1](=[O:2])([O-:3])[c:4]1[c:5]([Cl:22])[cH:7][c:8]([S:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:9][cH:10]1

Participants

10

Reactant 9

HCID 176Acetic AcidHCID 312ChlorideHCID 313Hydrochloric AcidHCID 923Sodium ionHCID 946NitriteHCID 947NitrogenHCID 962WaterHCID 1140TolueneHCID 1707372-Nitro-5-phenylthioaniline

Product 1

HCID 147651172-Chloro-1-nitro-4-(phenylsulfanyl)benzene

Sources & evidence

ORD record
ord-36ad769121334a7fa70a1f98e4d61ce6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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