4-Fluorobenzylamine → 6-[4-(5-Fluoro-2-trifluoromethylbenzoyl)piperazin-1-YL]imidazo[1,2-B]pyridazine-2-carboxylic acid 4-fluorobenzylamide

반응식

[CH2:10]([O:12][C:13](=[O:11])[c:15]1[n:16][c:17]2[n:18]([n:19][c:20]([N:23]3[CH2:24][CH2:25][N:26]([C:29]([c:30]4[c:31]([C:37]([F:38])([F:39])[F:40])[cH:32][cH:33][c:34]([F:36])[cH:35]4)=[O:41])[CH2:27][CH2:28]3)[cH:21][cH:22]2)[cH:42]1)[CH3:14].[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH2:7])[cH:8][cH:9]1>>[F:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][C:13](=[O:12])[c:15]2[n:16][c:17]3[n:18]([n:19][c:20]([N:23]4[CH2:24][CH2:25][N:26]([C:29]([c:30]5[c:31]([C:37]([F:38])([F:39])[F:40])[cH:32][cH:33][c:34]([F:36])[cH:35]5)=[O:41])[CH2:27][CH2:28]4)[cH:21][cH:22]3)[cH:42]2)[cH:8][cH:9]1

참가 물질

반응물 2

HCID 673264-Fluorobenzylamine

HCID 668634596-[4-(5-Fluoro-2-trifluoromethylbenzoyl)piperazin-1-YL]imidazo[1,2-B]pyridazine-2-carboxylic acid ethyl ester

생성물 1

HCID 116853306-[4-(5-Fluoro-2-trifluoromethylbenzoyl)piperazin-1-YL]imidazo[1,2-B]pyridazine-2-carboxylic acid 4-fluorobenzylamide

출처 및 근거

ORD 기록: ord-127a72054177419b83ed83ee211ffb4c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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