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Ethyl Acetate → 4-Chloro-6-(2-chloro-5-trifluoromethyl-benzylamino)-2H-phthalazin-1-one

HRID 2328907
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HRID 2328907 반응식
[Br:1][c:2]1[cH:3][c:4]2[c:5]([Cl:13])[n:6][nH:7][c:8](=[O:12])[c:9]2[cH:10][cH:11]1.[CH3:27][CH2:28][O:29][C:30]([CH3:31])=[O:32].[Cl:14][c:15]1[c:16]([CH2:17][NH2:18])[cH:19][c:20]([C:23]([F:24])([F:25])[F:26])[cH:21][cH:22]1.[O:35]=[C:36]([CH:37]=[CH:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1)[CH:45]=[CH:46][c:47]1[cH:48][cH:49][cH:50][cH:51][cH:52]1.[O:53]=[C:54]([CH:55]=[CH:56][c:57]1[cH:58][cH:59][cH:60][cH:61][cH:62]1)[CH:63]=[CH:64][c:65]1[cH:66][cH:67][cH:68][cH:69][cH:70]1.[O:71]=[C:72]([CH:73]=[CH:74][c:75]1[cH:76][cH:77][cH:78][cH:79][cH:80]1)[CH:81]=[CH:82][c:83]1[cH:84][cH:85][cH:86][cH:87][cH:88]1.[Pd:33].[Pd:34]>>[c:2]1([NH:18][CH2:17][c:16]2[c:15]([Cl:14])[cH:22][cH:21][c:20]([C:23]([F:24])([F:25])[F:26])[cH:19]2)[cH:3][c:4]2[c:5]([Cl:13])[n:6][nH:7][c:8](=[O:12])[c:9]2[cH:10][cH:11]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 8857Ethyl AcetateHCID 23938Palladium2회HCID 95417Dibenzylidene acetone3회HCID 27366822-Chloro-5-(trifluoromethyl)benzylamineHCID 533084876-Bromo-4-chlorophthalazin-1(2H)-one

생성물 1

HCID 584472734-Chloro-6-(2-chloro-5-trifluoromethyl-benzylamino)-2H-phthalazin-1-one

출처 및 근거

ORD 기록
ord-e36814e2b70a4d8691736183c51eb5d1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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