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Ammonia → 5-(2,6-difluorophenyl)-3-{[1-(trifluoromethanesulphonyl)piperidin-4-yl]amino}-1H-pyrazolo[4,3-c]isoquinoline-7-carboxamide

HRID 91403
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HRID 91403 반응식
[Cl:54][CH2:55][Cl:56].[F:1][c:2]1[c:3](-[c:9]2[n:10][c:11]3[c:12]([c:13]4[cH:14][cH:15][c:16]([C:19](=[O:20])[NH2:21])[cH:17][c:18]24)[n:22]([CH2:39][O:40][CH2:41][CH2:42][Si:43]([CH3:44])([CH3:45])[CH3:46])[n:23][c:24]3[NH:25][CH:26]2[CH2:27][CH2:28][N:29]([S:32](=[O:33])(=[O:34])[C:35]([F:36])([F:37])[F:38])[CH2:30][CH2:31]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1.[F:47][C:48]([F:49])([F:50])[C:51]([OH:52])=[O:53].[NH3:58].[OH2:57]>>[F:1][c:2]1[c:3](-[c:9]2[n:10][c:11]3[c:12]([c:13]4[cH:14][cH:15][c:16]([C:19](=[O:20])[NH2:21])[cH:17][c:18]24)[nH:22][n:23][c:24]3[NH:25][CH:26]2[CH2:27][CH2:28][N:29]([S:32](=[O:33])(=[O:34])[C:35]([F:36])([F:37])[F:38])[CH2:30][CH2:31]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1
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반응물 5

HCID 222AmmoniaHCID 962WaterHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 667746395-(2,6-difluorophenyl)-3-{[1-(trifluoromethanesulphonyl)piperidin-4-yl]amino}-1-{[2-(trimethylsilyl)ethoxy]methyl}-1H-pyrazolo[4,3-c]isoquinoline-7-carboxamide

생성물 1

HCID 49764012
5-(2,6-difluorophenyl)-3-{[1-(trifluoromethanesulphonyl)piperidin-4-yl]amino}-1H-pyrazolo[4,3-c]isoquinoline-7-carboxamide

출처 및 근거

ORD 기록
ord-17ce5b160ecc4e57af09268b46e8c15b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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