Dichloromethane → rac-(2S,3S,4S)-2-(3-chloro-2-fluoro-phenyl)-3-(4-chloro-2-fluoro-phenyl)-3-cyano-4-(2,2-dimethyl-propyl)-pyrrolidine-1-carboxylic acid (1-methanesulfonyl-piperidin-4-yl)-amide

HRID 678026

반응식

HRID 678026 반응식
[CH3:29][S:30](=[O:31])(=[O:32])[N:33]1[CH2:34][CH2:35][CH:36]([NH:39][C:40](=[O:41])[n:42]2[cH:43][cH:44][n:45][cH:46]2)[CH2:37][CH2:38]1.[Cl:1][c:2]1[c:3]([F:28])[c:4]([CH:8]2[NH:9][CH2:10][CH:11]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[C:12]2([C:13]#[N:14])[c:15]2[c:16]([F:22])[cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:5][cH:6][cH:7]1.[Cl:47][CH2:48][Cl:49]>>[Cl:1][c:2]1[c:3]([F:28])[c:4]([CH:8]2[N:9]([C:40]([NH:39][CH:36]3[CH2:35][CH2:34][N:33]([S:30]([CH3:29])(=[O:31])=[O:32])[CH2:38][CH2:37]3)=[O:41])[CH2:10][CH:11]([CH2:23][C:24]([CH3:25])([CH3:26])[CH3:27])[C:12]2([C:13]#[N:14])[c:15]2[c:16]([F:22])[cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:5][cH:6][cH:7]1

참가 물질

4

반응물 3

HCID 6344DichloromethaneHCID 67095364Imidazole-1-carboxylic acid (1-methanesulfonyl-piperidin-4-yl)-amideHCID 67095372rac-(2S,3S,4S)-2-(3-chloro-2-fluoro-phenyl)-3-(4-chloro-2-fluoro-phenyl)-4-(2,2-dimethyl-propyl)-pyrrolidine-3-carbonitrile

생성물 1

HCID 75631467rac-(2S,3S,4S)-2-(3-chloro-2-fluoro-phenyl)-3-(4-chloro-2-fluoro-phenyl)-3-cyano-4-(2,2-dimethyl-propyl)-pyrrolidine-1-carboxylic acid (1-methanesulfonyl-piperidin-4-yl)-amide

출처 및 근거

ORD 기록
ord-854810153b3a4441a86c031f590cee21
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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