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Sodium Ion → 3-[6-(2,6-Dichlorophenyl)-2-{[4-(diethylamino)butyl]amino}pyrido[2,3-d]pyrimidin-7-yl]-1-phenylurea

HRID 116989
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HRID 116989 반응식
[Cl:1][c:2]1[c:3](-[c:9]2[cH:10][c:11]3[c:12]([n:13][c:14]([NH:17][CH2:18][CH2:19][CH2:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26])[n:15][cH:16]3)[n:27][c:28]2[NH2:29])[c:4]([Cl:8])[cH:5][cH:6][cH:7]1.[H-:30].[Na+:31].[O:32]=[C:33]=[N:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[O:41]=[CH:42][N:43]([CH3:44])[CH3:45]>>[Cl:1][c:2]1[c:3](-[c:9]2[cH:10][c:11]3[c:12]([n:13][c:14]([NH:17][CH2:18][CH2:19][CH2:20][CH2:21][N:22]([CH2:23][CH3:24])[CH2:25][CH3:26])[n:15][cH:16]3)[n:27][c:28]2[NH:29][C:33](=[O:32])[NH:34][c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[c:4]([Cl:8])[cH:5][cH:6][cH:7]1
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반응물 5

HCID 923Sodium IonHCID 6228DimethylformamideHCID 7672Phenyl isocyanateHCID 166653HydrideHCID 53281336-(2,6-dichlorophenyl)-2-N-[4-(diethylamino)butyl]pyrido[2,3-d]pyrimidine-2,7-diamine

생성물 1

HCID 53281373-[6-(2,6-Dichlorophenyl)-2-{[4-(diethylamino)butyl]amino}pyrido[2,3-d]pyrimidin-7-yl]-1-phenylurea

출처 및 근거

ORD 기록
ord-850546e502c74216b0362c86037ecc2e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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