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Dichloromethane → N-[3-chloro-2-(4-{2-hydroxy-3-[5-methanesulfonyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo [4,3-c]pyridin-1-yl]-propyl}-piperazin-1-yl)-phenyl]-methanesulfonamide

HRID 1201660
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HRID 1201660 반응식
[C:1]([O:2][C:6](=[O:3])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([Cl:25])[cH:16][cH:17][cH:18][c:19]2[NH:20][S:21](=[O:22])(=[O:23])[CH3:24])[CH2:12][CH2:13]1)([CH3:4])([CH3:5])[CH3:7].[CH3:33][S:34](=[O:35])(=[O:36])[N:37]1[CH2:38][c:39]2[c:40]([n:43]([CH2:56][CH:57]3[O:58][CH2:59]3)[n:44][c:45]2-[c:46]2[cH:47][cH:48][c:49]([C:52]([F:53])([F:54])[F:55])[cH:50][cH:51]2)[CH2:41][CH2:42]1.[Cl:60][CH2:61][Cl:62].[OH:26][C:27]([C:28]([F:29])([F:30])[F:31])=[O:32]>>[CH2:6]([N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([Cl:25])[cH:16][cH:17][cH:18][c:19]2[NH:20][S:21](=[O:22])(=[O:23])[CH3:24])[CH2:12][CH2:13]1)[CH:57]([CH2:56][n:43]1[c:40]2[c:39]([c:45](-[c:46]3[cH:47][cH:48][c:49]([C:52]([F:53])([F:54])[F:55])[cH:50][cH:51]3)[n:44]1)[CH2:38][N:37]([S:34]([CH3:33])(=[O:35])=[O:36])[CH2:42][CH2:41]2)[OH:58]
참가 물질출처 및 근거반응 노트

참가 물질

5

반응물 4

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 120720315-methanesulfonyl-1-oxiranylmethyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridineHCID 684630944-(2-Chloro-6-methanesulfonylamino-phenyl)-piperazine-1-carboxylic acid tert-butyl ester

생성물 1

HCID 10168894
N-[3-chloro-2-(4-{2-hydroxy-3-[5-methanesulfonyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo [4,3-c]pyridin-1-yl]-propyl}-piperazin-1-yl)-phenyl]-methanesulfonamide

출처 및 근거

ORD 기록
ord-0096a6891be644a793a87a271e76c1eb
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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