Hydrochloric Acid → (2-Isopropoxy-5-methanesulfonyl-phenyl)-{4-[5-(propane-2-sulfonyl)-thiazol-2-yl]-piperazin-1-yl}-methanone

HRID 186757Notes

Reaction equation

HRID 186757 reaction equation
[CH3:19][CH:20]([CH3:21])[S:22](=[O:23])(=[O:24])[c:25]1[cH:26][n:27][c:28]([N:30]2[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]2)[s:29]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:33]2[CH2:32][CH2:31][N:30]([c:28]3[n:27][cH:26][c:25]([S:22]([CH:20]([CH3:19])[CH3:21])(=[O:23])=[O:24])[s:29]3)[CH2:35][CH2:34]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 211002372-Isopropoxy-5-methylsulfonylbenzoic acidHCID 675498172-Piperazin-1-yl-5-propan-2-ylsulfonyl-1,3-thiazole

Product 1

HCID 58677830(2-Isopropoxy-5-methanesulfonyl-phenyl)-{4-[5-(propane-2-sulfonyl)-thiazol-2-yl]-piperazin-1-yl}-methanone

Sources & evidence

ORD record
ord-ae9f97dbfd71431083c3105a38d90184
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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