Ethanol → 3-Oxo-naphth[2,1-d]isothiazoline-2-acetic acid ethyl ester-1,1-dioxide

HRID 1210720Notes

Reaction equation

HRID 1210720 reaction equation
[CH2:18]([CH3:19])[O:20][C:21]([CH2:22][Cl:23])=[O:24].[CH3:25][CH2:26][OH:27].[Na:1].[O:2]=[C:3]1[NH:4][S:5](=[O:16])(=[O:17])[c:6]2[c:7]1[cH:8][cH:9][c:10]1[cH:11][cH:12][cH:13][cH:14][c:15]21>>[O:2]=[C:3]1[N:4]([CH2:22][C:21]([O:20][CH2:18][CH3:19])=[O:24])[S:5](=[O:16])(=[O:17])[c:6]2[c:7]1[cH:8][cH:9][c:10]1[cH:11][cH:12][cH:13][cH:14][c:15]21

Participants

5

Reactant 4

HCID 702EthanolHCID 7751Ethyl chloroacetateHCID 5360545SodiumHCID 124215141H-1lambda~6~-Naphtho[2,1-d][1,2]thiazole-1,1,3(2H)-trione

Product 1

HCID 124215153-Oxo-naphth[2,1-d]isothiazoline-2-acetic acid ethyl ester-1,1-dioxide

Sources & evidence

ORD record
ord-92631be17c3d413ebaea128876bfe9c1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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