3-Bromothioanisole → 4-(3-Methylsulfanylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic Acid [4-(3-dimethylaminopyrrolidin-1-yl)phenyl]amide

反応式

[Br:33][c:34]1[cH:35][c:36]([S:40][CH3:41])[cH:37][cH:38][cH:39]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[cH:35][c:36]([S:40][CH3:41])[cH:37][cH:38][cH:39]4)=[CH:21][CH2:22]3)[cH:12][cH:13]2)[CH2:6][CH2:7]1)[CH3:32]

参加物

反応物 2

HCID 27356273-Bromothioanisole

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

生成物 1

HCID 588677794-(3-Methylsulfanylphenyl)-3,6-dihydro-2H-pyridine-1-carboxylic Acid [4-(3-dimethylaminopyrrolidin-1-yl)phenyl]amide

出典と根拠

ORDレコード: ord-155de9706a214242895ba4363ae28690
出典データセット: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

反応ノート

読み込み中…