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

반응식

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

참가 물질

반응물 3

HCID 313Hydrochloric Acid

HCID 21100184HCID 21100184, 화합물

HCID 211002232-Cyclopentyloxy-5-methanesulfonyl-benzoic acid

생성물 1

HCID 21100162{4-[5-(Butane-1-sulfonyl)-thiazol-2-yl]-piperazin-1-yl}-(2-cyclopentyloxy-5-methanesulfonyl-phenyl)-methanone

출처 및 근거

ORD 기록: ord-aeee809c4e384cc3bb0de47021111ed1
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

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