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Ethylene Glycol → [4-(2,6-Dimethoxypyrimidin-4-yl)piperazin-1-yl](4-{[7-(trifluoromethyl)quinolin-4-yl]amino}phenyl)methanone

HRID 2152492
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HRID 2152492 반응식
[CH3:41][CH2:42][N:43]([CH2:44][CH3:45])[CH2:46][CH3:47].[Cl:30][c:31]1[cH:32][c:33]([O:39][CH3:40])[n:34][c:35]([O:37][CH3:38])[n:36]1.[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]2[c:7]([NH:13][c:14]3[cH:15][cH:16][c:17]([C:18](=[O:19])[N:20]4[CH2:21][CH2:22][NH:23][CH2:24][CH2:25]4)[cH:26][cH:27]3)[cH:8][cH:9][n:10][c:11]2[cH:12]1)([F:28])[F:29].[OH:48][CH2:49][CH2:50][OH:51]>>[F:1][C:2]([c:3]1[cH:4][cH:5][c:6]2[c:7]([NH:13][c:14]3[cH:15][cH:16][c:17]([C:18](=[O:19])[N:20]4[CH2:21][CH2:22][N:23]([c:31]5[cH:32][c:33]([O:39][CH3:40])[n:34][c:35]([O:37][CH3:38])[n:36]5)[CH2:24][CH2:25]4)[cH:26][cH:27]3)[cH:8][cH:9][n:10][c:11]2[cH:12]1)([F:28])[F:29]
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HCID 174Ethylene GlycolHCID 8471TriethylamineHCID 806004-Chloro-2,6-dimethoxypyrimidineHCID 30552431-Piperazinyl(4-((7-(trifluoromethyl)-4-quinolinyl)amino)phenyl)methanone

생성물 1

HCID 3055245[4-(2,6-Dimethoxypyrimidin-4-yl)piperazin-1-yl](4-{[7-(trifluoromethyl)quinolin-4-yl]amino}phenyl)methanone

출처 및 근거

ORD 기록
ord-b0840f443ba54c509514e21a9fed6713
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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