2,5-Dichlorobenzonitrile → 1-(4-Chloro-2-cyanophenyl)piperidine-4-carboxylic Acid [4-(3-dimethylaminopyrrolidin-1-yl)phenyl]amide

HRID 154587

반응식

HRID 154587 반응식
[CH3:1][N:2]([CH:3]1[CH2:4][N:5]([c:8]2[cH:9][cH:10][c:11]([NH:14][C:15](=[O:16])[CH:17]3[CH2:18][CH2:19][NH:20][CH2:21][CH2:22]3)[cH:12][cH:13]2)[CH2:6][CH2:7]1)[CH3:23].[Cl:24][c:25]1[c:26]([C:27]#[N:28])[cH:29][c:30]([Cl:33])[cH:31][cH:32]1>>[CH3:1][N:2]([CH:3]1[CH2:4][N:5]([c:8]2[cH:9][cH:10][c:11]([NH:14][C:15](=[O:16])[CH:17]3[CH2:18][CH2:19][N:20]([c:25]4[c:26]([C:27]#[N:28])[cH:29][c:30]([Cl:33])[cH:31][cH:32]4)[CH2:21][CH2:22]3)[cH:12][cH:13]2)[CH2:6][CH2:7]1)[CH3:23]

참가 물질

3

반응물 2

HCID 890002,5-DichlorobenzonitrileHCID 67147939HCID 67147939, 화합물

생성물 1

HCID 588677651-(4-Chloro-2-cyanophenyl)piperidine-4-carboxylic Acid [4-(3-dimethylaminopyrrolidin-1-yl)phenyl]amide

출처 및 근거

ORD 기록
ord-48b274c1ed274ab289ec52fc9be9bb47
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

불러오는 중…