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Chloride → N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-[2-phenoxy-6-(trifluoromethyl)pyridin-3-yl]prop-2-enamide

HRID 696400
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HRID 696400 반응식
[CH3:18][O:19][c:20]1[n:21][c:22]([O:23][CH3:24])[n:25][c:26]([N+:27]2([CH3:28])[CH2:29][CH2:30][O:31][CH2:32][CH2:33]2)[n:34]1.[Cl-:17].[ClH:15].[NH2:1][CH2:2][c:3]1[cH:4][c:5]([F:14])[c:6]([NH:9][S:10](=[O:11])(=[O:12])[CH3:13])[cH:7][cH:8]1.[O:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[c:42]1[n:43][c:44]([C:53]([F:54])([F:55])[F:56])[cH:45][cH:46][c:47]1[CH:48]=[CH:49][C:50](=[O:51])[OH:52].[OH2:16]>>[NH:1]([CH2:2][c:3]1[cH:4][c:5]([F:14])[c:6]([NH:9][S:10](=[O:11])(=[O:12])[CH3:13])[cH:7][cH:8]1)[C:50]([CH:49]=[CH:48][c:47]1[c:42]([O:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[n:43][c:44]([C:53]([F:54])([F:55])[F:56])[cH:45][cH:46]1)=[O:51]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 312ChlorideHCID 313Hydrochloric AcidHCID 962WaterHCID 27340604-(4,6-Dimethoxy-1,3,5-triazin-2-yl)-4-methylmorpholin-4-iumHCID 21097526N-(4-(aminomethyl)-2-fluorophenyl)methanesulfonamideHCID 687833273-(2-Phenoxy-6-trifluoromethyl-pyridin-3-yl)-acrylic acid

생성물 1

HCID 68786925
N-[[3-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-[2-phenoxy-6-(trifluoromethyl)pyridin-3-yl]prop-2-enamide

출처 및 근거

ORD 기록
ord-96e240825b854457942ee3d763fe6294
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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