5-(2,4-Bis(benzyloxy)-5-chlorophenyl)-4-bromo-N-ethylisoxazole-3-carboxamide → 5-(2,4-Bis-benzyloxy-5-chloro-phenyl)-4-[3-(4-methyl-piperazin-1-yl)-phenyl]-isoxazole-3-carboxylic acid ethylamide

반응식

[CH2:1]([CH3:2])[NH:3][C:4](=[O:5])[c:6]1[n:7][o:8][c:9](-[c:12]2[c:13]([O:27][CH2:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[cH:14][c:15]([O:19][CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[c:16]([Cl:18])[cH:17]2)[c:10]1[Br:11].[CH3:35][N:36]1[CH2:37][CH2:38][N:39]([c:42]2[cH:43][c:44]([B:48]3[O:49][C:50]([CH3:51])([CH3:52])[C:53]([CH3:54])([CH3:55])[O:56]3)[cH:45][cH:46][cH:47]2)[CH2:40][CH2:41]1>>[CH2:1]([CH3:2])[NH:3][C:4](=[O:5])[c:6]1[n:7][o:8][c:9](-[c:12]2[c:13]([O:27][CH2:28][c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[cH:14][c:15]([O:19][CH2:20][c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[c:16]([Cl:18])[cH:17]2)[c:10]1-[c:44]1[cH:43][c:42]([N:39]2[CH2:38][CH2:37][N:36]([CH3:35])[CH2:41][CH2:40]2)[cH:47][cH:46][cH:45]1

참가 물질

반응물 2

HCID 247740425-(2,4-Bis(benzyloxy)-5-chlorophenyl)-4-bromo-N-ethylisoxazole-3-carboxamide

HCID 592647461-Methyl-4-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)phenyl)piperazine

생성물 1

HCID 592647295-(2,4-Bis-benzyloxy-5-chloro-phenyl)-4-[3-(4-methyl-piperazin-1-yl)-phenyl]-isoxazole-3-carboxylic acid ethylamide

출처 및 근거

ORD 기록: ord-ff0cda9a8276429cad8a456ce9ad573e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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