Ethanol → Ethyl 5-nitro-1,2-benzisothiazole-3-acetate

HRID 2339437Notes

Reaction equation

HRID 2339437 reaction equation
[C:1](#[N:2])[CH:3]([C:4](=[O:5])[O:6][CH2:7][CH3:8])[c:9]1[n:10][s:11][c:12]2[c:13]1[cH:14][c:15]([N+:18](=[O:19])[O-:20])[cH:16][cH:17]2.[CH3:21][C:22](=[O:23])[Cl:24].[CH3:25][CH2:26][OH:27].[CH3:28][CH2:29][O:30][CH2:31][CH3:32]>>[CH2:3]([C:4](=[O:5])[O:6][CH2:7][CH3:8])[c:9]1[n:10][s:11][c:12]2[c:13]1[cH:14][c:15]([N+:18](=[O:19])[O-:20])[cH:16][cH:17]2

Participants

5

Reactant 4

HCID 702EthanolHCID 3283Diethyl EtherHCID 6367Acetyl chlorideHCID 12607115Ethyl alpha-cyano-5-nitro-1,2-benziso-thiazole-3-acetate

Product 1

HCID 18314495Ethyl 5-nitro-1,2-benzisothiazole-3-acetate

Sources & evidence

ORD record
ord-c9e64484bafc491bad68ed12b3dc881b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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