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Chloride → N-[[3-cyano-5-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-[2-phenoxy-6-(trifluoromethyl)pyridin-3-yl]prop-2-enamide

HRID 678857
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HRID 678857 반응식
[CH3:20][O:21][c:22]1[n:23][c:24]([O:25][CH3:26])[n:27][c:28]([N+:29]2([CH3:30])[CH2:31][CH2:32][O:33][CH2:34][CH2:35]2)[n:36]1.[Cl-:19].[ClH:17].[NH2:1][CH2:2][c:3]1[cH:4][c:5]([F:16])[c:6]([NH:11][S:12](=[O:13])(=[O:14])[CH3:15])[c:7]([C:9]#[N:10])[cH:8]1.[O:37]([c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[c:44]1[n:45][c:46]([C:55]([F:56])([F:57])[F:58])[cH:47][cH:48][c:49]1[CH:50]=[CH:51][C:52](=[O:53])[OH:54].[OH2:18]>>[NH:1]([CH2:2][c:3]1[cH:4][c:5]([F:16])[c:6]([NH:11][S:12](=[O:13])(=[O:14])[CH3:15])[c:7]([C:9]#[N:10])[cH:8]1)[C:52]([CH:51]=[CH:50][c:49]1[c:44]([O:37][c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[n:45][c:46]([C:55]([F:56])([F:57])[F:58])[cH:47][cH:48]1)=[O:53]
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 66855590N-[4-(aminomethyl)-2-cyano-6-fluorophenyl]methanesulfonamideHCID 687833273-(2-Phenoxy-6-trifluoromethyl-pyridin-3-yl)-acrylic acid

생성물 1

HCID 68786960
N-[[3-cyano-5-fluoro-4-(methanesulfonamido)phenyl]methyl]-3-[2-phenoxy-6-(trifluoromethyl)pyridin-3-yl]prop-2-enamide

출처 및 근거

ORD 기록
ord-fb75dab1486c4a29802ae2d581677eb6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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