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Toluene → 1-(3-Chlorophenyl)-1,4,5,6-tetrahydro-6-phenyl-N-[4-(trifluoromethyl)phenyl]-3-pyridazinecarboxamide

HRID 2125112
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반응식

HRID 2125112 반응식
[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:43][c:44]1[cH:45][cH:46][cH:47][cH:48][cH:49]1.[Cl:1][c:2]1[cH:3][c:4]([N:8]2[N:9]=[C:10]([C:20](=[O:21])[OH:22])[CH2:11][CH2:12][CH:13]2[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:5][cH:6][cH:7]1.[F:23][C:24]([c:25]1[cH:26][cH:27][c:28]([N:31]=[C:32]=[O:33])[cH:29][cH:30]1)([F:34])[F:35]>>[Cl:1][c:2]1[cH:3][c:4]([N:8]2[N:9]=[C:10]([C:20](=[O:21])[NH:31][c:28]3[cH:27][cH:26][c:25]([C:24]([F:23])([F:34])[F:35])[cH:30][cH:29]3)[CH2:11][CH2:12][CH:13]2[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:5][cH:6][cH:7]1
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반응물 4

HCID 1140TolueneHCID 8471TriethylamineHCID 737684-(Trifluoromethyl)phenyl isocyanateHCID 233587531-(3-Chlorophenyl)-1,4,5,6-tetrahydro-6-phenyl-3-pyridazinecarboxylic acid

생성물 1

HCID 233587551-(3-Chlorophenyl)-1,4,5,6-tetrahydro-6-phenyl-N-[4-(trifluoromethyl)phenyl]-3-pyridazinecarboxamide

출처 및 근거

ORD 기록
ord-9c5db6eb03c641eda059daf75ffaa619
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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