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Sodium Ion → 3-Tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[3-(diethylamino)propyl]amino}pyrido[2,3-d]pyrimidin-7-yl]urea

HRID 114689
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HRID 114689 반응식
[C:31]([CH3:32])([CH3:33])([CH3:34])[N:35]=[C:36]=[O:37].[H-:29].[NH2:1][c:2]1[c:3](-[c:21]2[c:22]([Cl:28])[cH:23][cH:24][cH:25][c:26]2[Cl:27])[cH:4][c:5]2[c:6]([n:7][c:8]([NH:11][CH2:12][CH2:13][CH2:14][N:15]([CH2:16][CH3:17])[CH2:18][CH3:19])[n:9][cH:10]2)[n:20]1.[Na+:30].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[OH2:43]>>[NH:1]([c:2]1[c:3](-[c:21]2[c:22]([Cl:28])[cH:23][cH:24][cH:25][c:26]2[Cl:27])[cH:4][c:5]2[c:6]([n:7][c:8]([NH:11][CH2:12][CH2:13][CH2:14][N:15]([CH2:16][CH3:17])[CH2:18][CH3:19])[n:9][cH:10]2)[n:20]1)[C:36]([NH:35][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:37]
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반응물 6

HCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 62412tert-Butyl isocyanateHCID 166653HydrideHCID 53281146-(2,6-dichlorophenyl)-2-N-[3-(diethylamino)propyl]pyrido[2,3-d]pyrimidine-2,7-diamine

생성물 1

HCID 5328115
3-Tert-butyl-1-[6-(2,6-dichlorophenyl)-2-{[3-(diethylamino)propyl]amino}pyrido[2,3-d]pyrimidin-7-yl]urea

출처 및 근거

ORD 기록
ord-16e023b8c32a47f49b8e335529db8ace
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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