2-Bromobenzonitrile → 4-(2-Cyanophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic Acid [4-(3-dimethylamino-pyrrolidin-1-yl)phenyl]amide

반응식

[Br:33][c:34]1[c:35]([C:36]#[N:37])[cH:38][cH:39][cH:40][cH:41]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])[N:17]3[CH2:18][CH2:19][C:20]([B:23]4[O:24][C:25]([CH3:26])([CH3:27])[C:28]([CH3:29])([CH3:30])[O:31]4)=[CH:21][CH2:22]3)[cH:12][cH:13]2)[CH2:6][CH2:7]1)[CH3:32]>>[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])[N:17]3[CH2:18][CH2:19][C:20]([c:34]4[c:35]([C:36]#[N:37])[cH:38][cH:39][cH:40][cH:41]4)=[CH:21][CH2:22]3)[cH:12][cH:13]2)[CH2:6][CH2:7]1)[CH3:32]

참가 물질

반응물 2

HCID 162722-Bromobenzonitrile

HCID 671479464-(4,4,5,5-Tetramethyl-[1,3,2]dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid [4-(3-dimethylaminopyrrolidin-1-yl)phenyl]amide

생성물 1

HCID 588668514-(2-Cyanophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic Acid [4-(3-dimethylamino-pyrrolidin-1-yl)phenyl]amide

출처 및 근거

ORD 기록: ord-1cb31054cf8b452e976c83822db2bbc9
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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