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Acetate → 4-{4-[bis(tert-butoxycarbonyl)amino]-2-propyl-2H-pyrazolo[3,4-c]quinolin-1-yl}butyl acetate

HRID 2339850
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HRID 2339850 반응식
[CH3:2][C:3]([O-:4])=[O:5].[Cl:8][CH2:9][CH2:10][CH2:11][CH2:12][c:13]1[n:14]([CH2:41][CH2:42][CH3:43])[n:15][c:16]2[c:17]([N:26]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[n:18][c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]3[c:25]12.[I-:7].[K+:1].[Na+:6].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48]>>[CH3:2][C:3]([O:4][CH2:9][CH2:10][CH2:11][CH2:12][c:13]1[n:14]([CH2:41][CH2:42][CH3:43])[n:15][c:16]2[c:17]([N:26]([C:27](=[O:28])[O:29][C:30]([CH3:31])([CH3:32])[CH3:33])[C:34](=[O:35])[O:36][C:37]([CH3:38])([CH3:39])[CH3:40])[n:18][c:19]3[cH:20][cH:21][cH:22][cH:23][c:24]3[c:25]12)=[O:5]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 175AcetateHCID 813Potassium CationHCID 923Sodium IonHCID 6228DimethylformamideHCID 30165Iodide IonHCID 66958751di(tert-butyl) 1-(4-chlorobutyl)-2-propyl-2H-pyrazolo[3,4-c]quinolin-4-ylimidodicarbonate

생성물 1

HCID 66958934
4-{4-[bis(tert-butoxycarbonyl)amino]-2-propyl-2H-pyrazolo[3,4-c]quinolin-1-yl}butyl acetate

출처 및 근거

ORD 기록
ord-50b8d15cfaac4adf9b2ccf9a16325231
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI
10.1039/C8SC04228D

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