Hydrochloric Acid → 1-{2-[4-(2-Isopropoxy-5-methanesulfonyl-benzoyl)-piperazin-1-yl]-thiazol-5-yl}-propan-1-one

반응식

[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[s:26][c:27]([C:30]([CH2:31][CH3:32])=[O:33])[cH:28][n:29]2)[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[s:26][c:27]([C:30]([CH2:31][CH3:32])=[O:33])[cH:28][n:29]3)[CH2:24][CH2:23]2)[cH:10][c:11]([S:14](=[O:15])(=[O:16])[CH3:17])[cH:12][cH:13]1

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 211001711-(2-Piperazin-1-yl-1,3-thiazol-5-yl)propan-1-one

HCID 211002372-Isopropoxy-5-methylsulfonylbenzoic acid

생성물 1

HCID 211001691-{2-[4-(2-Isopropoxy-5-methanesulfonyl-benzoyl)-piperazin-1-yl]-thiazol-5-yl}-propan-1-one

출처 및 근거

ORD 기록: ord-b7dc21b44f6642e2bef4855f9bf68dbb
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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