Hydrochloric Acid → [(5-Nitro-1,2-benzisothiazol-3-yl)oxy]acetonitrile

HRID 1231597Notes

Reaction equation

HRID 1231597 reaction equation
[Br:20][CH2:21][C:22]#[N:23].[C:14](=[O:15])([O-:16])[O-:17].[CH2:30]([Cl:31])[Cl:32].[CH3:25][N:26]([CH3:27])[CH:28]=[O:29].[ClH:24].[K+:18].[K+:19].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([c:9](=[O:12])[nH:10][s:11]2)[cH:13]1>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][cH:6][c:7]2[c:8]([c:9]([O:12][CH2:21][C:22]#[N:23])[n:10][s:11]2)[cH:13]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 11534BromoacetonitrileHCID 19660Carbonate IonHCID 131869501,2-Benzisothiazol-3(2H)-one, 5-nitro-

Product 1

HCID 18314467[(5-Nitro-1,2-benzisothiazol-3-yl)oxy]acetonitrile

Sources & evidence

ORD record
ord-1143f34b848c4335b0adeb26c6ac9ea0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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