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2,4-Dichlorobenzylamine → 3-Quinolinecarboxamide,8-chloro-1-cyclopropyl-n-[(2,4-dichlorophenyl)methyl]-6,7-difluoro-1,4-dihydro-4-oxo-

HRID 96704
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HRID 96704 반응식
[Cl:1][c:2]1[c:3]([F:20])[c:4]([F:19])[cH:5][c:6]2[c:7](=[O:18])[c:8]([C:15](=[O:16])[OH:17])[cH:9][n:10]([CH:12]3[CH2:13][CH2:14]3)[c:11]12.[Cl:54][c:55]1[c:56]([CH2:57][NH2:58])[cH:59][cH:60][c:61]([Cl:63])[cH:62]1.[O:64]=[CH:65][N:66]([CH3:67])[CH3:68].[P-:21]([F:22])([F:23])([F:24])([F:25])([F:26])[F:27].[n:28]1([O:29][P+:30]([N:31]2[CH2:32][CH2:33][CH2:34][CH2:35]2)([N:36]2[CH2:37][CH2:38][CH2:39][CH2:40]2)[N:41]2[CH2:42][CH2:43][CH2:44][CH2:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]2[n:52][n:53]1>>[Cl:1][c:2]1[c:3]([F:20])[c:4]([F:19])[cH:5][c:6]2[c:7](=[O:18])[c:8]([C:15](=[O:17])[NH:58][CH2:57][c:56]3[c:55]([Cl:54])[cH:62][c:61]([Cl:63])[cH:60][cH:59]3)[cH:9][n:10]([CH:12]3[CH2:13][CH2:14]3)[c:11]12
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 14852,4-DichlorobenzylamineHCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 2724700Benzotriazol-1-yl-oxytripyrrolidinophosphoniumHCID 98359418-Chloro-1-cyclopropyl-6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

생성물 1

HCID 57780978
3-Quinolinecarboxamide,8-chloro-1-cyclopropyl-n-[(2,4-dichlorophenyl)methyl]-6,7-difluoro-1,4-dihydro-4-oxo-

출처 및 근거

ORD 기록
ord-aba3784914be40d9b01a59bf8fa13e6c
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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