Hydrochloric Acid → [4-(5-Ethanesulfonyl-thiazol-2-yl)-piperazin-1-yl]-(2-isopropoxy-5-methanesulfonyl-phenyl)-methanone

HRID 693332Notes

Reaction equation

HRID 693332 reaction equation
[CH2:19]([CH3:20])[S:21](=[O:22])(=[O:23])[c:24]1[cH:25][n:26][c:27]([N:29]2[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]2)[s:28]1.[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]>>[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[c:6]([C:7](=[O:9])[N:32]2[CH2:31][CH2:30][N:29]([c:27]3[n:26][cH:25][c:24]([S:21]([CH2:19][CH3:20])(=[O:22])=[O:23])[s:28]3)[CH2:34][CH2:33]2)[cH:10][c:11]([S:14](=[O:15])(=[O:16])[CH3:17])[cH:12][cH:13]1

Participants

4

Reactant 3

HCID 313Hydrochloric AcidHCID 211001865-Ethylsulfonyl-2-piperazin-1-yl-1,3-thiazoleHCID 211002372-Isopropoxy-5-methylsulfonylbenzoic acid

Product 1

HCID 21100274[4-(5-Ethanesulfonyl-thiazol-2-yl)-piperazin-1-yl]-(2-isopropoxy-5-methanesulfonyl-phenyl)-methanone

Sources & evidence

ORD record
ord-77f31f02713b4c568aabde73ddf59a46
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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