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 (4-cyano-phenyl)-amide

HRID 139856

반응식

HRID 139856 반응식
[C:29](#[N:30])[c:31]1[cH:32][cH:33][c:34]([N:37]=[C:38]=[O:39])[cH:35][cH:36]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:40][CH2:41][Cl:42]>>[Cl:1][c:2]1[c:3]([F:28])[c:4]([CH:8]2[N:9]([C:38]([NH:37][c:34]3[cH:33][cH:32][c:31]([C:29]#[N:30])[cH:36][cH:35]3)=[O:39])[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 1703804-Cyanophenyl isocyanateHCID 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 75630686rac-(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 (4-cyano-phenyl)-amide

출처 및 근거

ORD 기록
ord-3b31b07481f34c08909a7ce5b822e438
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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