4-(4-Isopropylpiperazin-1-ylmethyl)-3-trifluoromethyl-aniline → N-[4-(4-Isopropyl-piperazin-1-ylmethyl)-3-trifluoromethyl-phenyl]-2-(4-purin-9-yl-phenyl)-acetamide

반응식

[CH:20]([CH3:21])([CH3:22])[N:23]1[CH2:24][CH2:25][N:26]([CH2:29][c:30]2[c:31]([C:37]([F:38])([F:39])[F:40])[cH:32][c:33]([NH2:36])[cH:34][cH:35]2)[CH2:27][CH2:28]1.[n:1]1[cH:2][n:3][c:4]2[n:5](-[c:10]3[cH:11][cH:12][c:13]([CH2:16][C:17](=[O:18])[OH:19])[cH:14][cH:15]3)[cH:6][n:7][c:8]2[cH:9]1>>[n:1]1[cH:2][n:3][c:4]2[n:5](-[c:10]3[cH:11][cH:12][c:13]([CH2:16][C:17](=[O:19])[NH:36][c:33]4[cH:32][c:31]([C:37]([F:38])([F:39])[F:40])[c:30]([CH2:29][N:26]5[CH2:25][CH2:24][N:23]([CH:20]([CH3:21])[CH3:22])[CH2:28][CH2:27]5)[cH:35][cH:34]4)[cH:14][cH:15]3)[cH:6][n:7][c:8]2[cH:9]1

참가 물질

반응물 2

HCID 574314454-(4-Isopropylpiperazin-1-ylmethyl)-3-trifluoromethyl-aniline

HCID 67021576(4-Purin-9-yl-phenyl)-acetic acid

생성물 1

HCID 67021696N-[4-(4-Isopropyl-piperazin-1-ylmethyl)-3-trifluoromethyl-phenyl]-2-(4-purin-9-yl-phenyl)-acetamide

출처 및 근거

ORD 기록: ord-793b8c93f55a45d4bea063409e5cd409
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

반응 노트

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