Hydrochloric Acid → (4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-(2-isopropoxy-5-methanesulfonyl-phenyl)-methanone

HRID 1538565Notes

Reaction equation

HRID 1538565 reaction equation
[CH3:34][N:35]([CH3:36])[CH:37]=[O:38].[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[c:6]([C:7](=[O:8])[OH:9])[cH:10][c:11]([S:14](=[O:15])(=[O:16])[CH3:17])[cH:12][cH:13]1.[ClH:18].[N:19]1([c:25]2[n:26][s:27][c:28]3[c:29]2[cH:30][cH:31][cH:32][cH:33]3)[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]1>>[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[c:6]([C:7](=[O:9])[N:22]2[CH2:21][CH2:20][N:19]([c:25]3[n:26][s:27][c:28]4[c:29]3[cH:30][cH:31][cH:32][cH:33]4)[CH2:24][CH2:23]2)[cH:10][c:11]([S:14](=[O:15])(=[O:16])[CH3:17])[cH:12][cH:13]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 6228DimethylformamideHCID 27721443-(1-Piperazinyl)-1,2-benzisothiazoleHCID 211002372-Isopropoxy-5-methylsulfonylbenzoic acid

Product 1

HCID 11655523(4-Benzo[d]isothiazol-3-yl-piperazin-1-yl)-(2-isopropoxy-5-methanesulfonyl-phenyl)-methanone

Sources & evidence

ORD record
ord-6dc0e8f5e4b14558898f1b688a6ef8ae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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