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Water → 2-(3-chloro-4-methanesulfonyl-phenyl)-3-cyclopentyl-N-(5-trifluoromethyl-pyridin-2-yl)-propionamide

HRID 100783
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HRID 100783 반응식
[Br:20][N:21]1[C:22](=[O:23])[CH2:24][CH2:25][C:26]1=[O:27].[CH2:66]([Cl:67])[Cl:68].[Cl:28][c:29]1[cH:30][c:31]([CH:39]([C:40](=[O:41])[OH:42])[CH2:43][CH:44]2[CH2:45][CH2:46][CH2:47][CH2:48]2)[cH:32][cH:33][c:34]1[S:35](=[O:36])(=[O:37])[CH3:38].[NH2:49][c:50]1[n:51][cH:52][c:53]([C:56]([F:57])([F:58])[F:59])[cH:54][cH:55]1.[OH2:69].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1.[cH:60]1[cH:61][cH:62][n:63][cH:64][cH:65]1>>[Cl:28][c:29]1[cH:30][c:31]([CH:39]([C:40](=[O:42])[NH:49][c:50]2[n:51][cH:52][c:53]([C:56]([F:57])([F:58])[F:59])[cH:54][cH:55]2)[CH2:43][CH:44]2[CH2:45][CH2:46][CH2:47][CH2:48]2)[cH:32][cH:33][c:34]1[S:35](=[O:36])(=[O:37])[CH3:38]
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 962WaterHCID 1049PyridineHCID 6344DichloromethaneHCID 11776TriphenylphosphineHCID 67184N-bromobutanimideHCID 7358622-Amino-5-(trifluoromethyl)pyridineHCID 120676542-(3-Chloro-4-methanesulfonyl-phenyl)-3-cyclopentyl-propionic acid

생성물

1
HCID 223152302-(3-chloro-4-methanesulfonyl-phenyl)-3-cyclopentyl-N-(5-trifluoromethyl-pyridin-2-yl)-propionamide

출처 및 근거

ORD 기록
ord-34a2f8a05def40f886ceda5f4b0f1a18
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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