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Hydrochloric Acid → 3-cyano-4-[2-(5-methyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)phenoxy]-N-1,2,4-thiadiazol-5-ylbenzenesulfonamide

HRID 288483
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HRID 288483 반응식
[C:1](#[N:2])[c:3]1[cH:4][c:5]([S:45](=[O:46])(=[O:47])[NH:48][c:49]2[n:50][cH:51][n:52][s:53]2)[cH:6][cH:7][c:8]1[O:9][c:10]1[c:11](-[c:20]2[cH:21][n:22][n:23]([C:26]([c:27]3[cH:28][cH:29][cH:30][cH:31][cH:32]3)([c:33]3[cH:34][cH:35][cH:36][cH:37][cH:38]3)[c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[c:24]2[CH3:25])[cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]1.[CH2:55]1[O:56][CH2:57][CH2:58][O:59][CH2:60]1.[ClH:54]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([S:45](=[O:46])(=[O:47])[NH:48][c:49]2[n:50][cH:51][n:52][s:53]2)[cH:6][cH:7][c:8]1[O:9][c:10]1[c:11](-[c:20]2[cH:21][n:22][nH:23][c:24]2[CH3:25])[cH:12][c:13]([C:16]([F:17])([F:18])[F:19])[cH:14][cH:15]1
참가 물질출처 및 근거반응 노트

참가 물질

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반응물 3

HCID 313Hydrochloric AcidHCID 312751,4-DioxaneHCID 594365913-cyano-4-[2-(5-methyl-1-trityl-1H-pyrazol-4-yl)-4-(trifluoromethyl)phenoxy]-N-1,2,4-thiadiazol-5-ylbenzenesulfonamide

생성물 1

HCID 574948223-cyano-4-[2-(5-methyl-1H-pyrazol-4-yl)-4-(trifluoromethyl)phenoxy]-N-1,2,4-thiadiazol-5-ylbenzenesulfonamide

출처 및 근거

ORD 기록
ord-8e1f45641df246c3b42ca605950e3322
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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