Tetrahydrofuran → 2,2,2-trifluoro-N-(3-methyl-1-{-4-[9-phenyl-3-(2-pyrimidinyl)[1,2,4]triazolo[3,4-f]-1,6-naphthyridin-8-yl]phenyl}cyclobutyl)acetamide

반응식

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

참가 물질

반응물 2

HCID 8028Tetrahydrofuran

HCID 58229857HCID 58229857, 화합물

생성물 1

HCID 582298812,2,2-trifluoro-N-(3-methyl-1-{-4-[9-phenyl-3-(2-pyrimidinyl)[1,2,4]triazolo[3,4-f]-1,6-naphthyridin-8-yl]phenyl}cyclobutyl)acetamide

출처 및 근거

ORD 기록: ord-3aff0b05a73a404b951f8bc2ac6174c5
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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