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Dichloromethane → 1-(2-Chloro-4-(3-((7-methoxyquinolin-4-yloxy)methyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)ethanamine

HRID 183195
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HRID 183195 반응식
[Cl:1][c:2]1[c:3]([CH:31]([CH3:32])[NH:33][C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[cH:4][cH:5][c:6](-[c:8]2[cH:9][cH:10][c:11]3[n:12]([n:13]2)[c:14]([CH2:17][O:18][c:19]2[cH:20][cH:21][n:22][c:23]4[cH:24][c:25]([O:29][CH3:30])[cH:26][cH:27][c:28]24)[n:15][n:16]3)[cH:7]1.[Cl:41][CH2:42][Cl:43].[F:44][C:45]([F:46])([F:47])[C:48]([OH:49])=[O:50]>>[Cl:1][c:2]1[c:3]([CH:31]([CH3:32])[NH2:33])[cH:4][cH:5][c:6](-[c:8]2[cH:9][cH:10][c:11]3[n:12]([n:13]2)[c:14]([CH2:17][O:18][c:19]2[cH:20][cH:21][n:22][c:23]4[cH:24][c:25]([O:29][CH3:30])[cH:26][cH:27][c:28]24)[n:15][n:16]3)[cH:7]1
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반응물 3

HCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 57691339Tert-butyl 1-(2-chloro-4-(3-((7-methoxyquinolin-4-yloxy)methyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)ethylcarbamate

생성물 1

HCID 576910911-(2-Chloro-4-(3-((7-methoxyquinolin-4-yloxy)methyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)ethanamine

출처 및 근거

ORD 기록
ord-d2a66ecabff44dcf9717c269768812f9
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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