[4-(Piperazin-1-yl)phenyl]boronic acid → N-(cyanomethyl)-4-methyl-2-[(4'-piperazin-1-yl-1,1'-biphenyl-4-yl)(1,3-thiazol-2-yl)methoxy]pentanamide

반응식

[Br:1][c:2]1[cH:3][cH:4][c:5]([CH:8]([O:9][CH:10]([C:11](=[O:12])[NH:13][CH2:14][C:15]#[N:16])[CH2:17][CH:18]([CH3:19])[CH3:20])[c:21]2[s:22][cH:23][cH:24][n:25]2)[cH:6][cH:7]1.[N:26]1([c:32]2[cH:33][cH:34][c:35]([B:38]([OH:39])[OH:40])[cH:36][cH:37]2)[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]1>>[c:2]1(-[c:35]2[cH:34][cH:33][c:32]([N:26]3[CH2:27][CH2:28][NH:29][CH2:30][CH2:31]3)[cH:37][cH:36]2)[cH:3][cH:4][c:5]([CH:8]([O:9][CH:10]([C:11](=[O:12])[NH:13][CH2:14][C:15]#[N:16])[CH2:17][CH:18]([CH3:19])[CH3:20])[c:21]2[s:22][cH:23][cH:24][n:25]2)[cH:6][cH:7]1

참가 물질

반응물 2

HCID 5233013[4-(Piperazin-1-yl)phenyl]boronic acid

HCID 103200442-[(4-bromophenyl)(1,3-thiazol-2-yl)methoxy]-N-(cyanomethyl)-4-methylpentanamide

생성물 1

HCID 10391401N-(cyanomethyl)-4-methyl-2-[(4'-piperazin-1-yl-1,1'-biphenyl-4-yl)(1,3-thiazol-2-yl)methoxy]pentanamide

출처 및 근거

ORD 기록: ord-73e991fa6bab4c1481abdfbf39e97e2a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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