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Sodium Ion → (9-{4-[3-(4-formyl-3-(trifluoromethyl)phenyl)ureido]phenyl}-9H-purin-6-yl)-methylcarbamic acid tert-butyl ester

HRID 90801
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반응식

HRID 90801 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([c:8]1[c:9]2[n:10][cH:11][n:12](-[c:17]3[cH:18][cH:19][c:20]([NH:23][C:24](=[O:25])[NH:26][c:27]4[cH:28][c:29]([C:35]([F:36])([F:37])[F:38])[c:30]([CH:33]=[CH2:34])[cH:31][cH:32]4)[cH:21][cH:22]3)[c:13]2[n:14][cH:15][n:16]1)[CH3:39])=[O:40].[I+3:41]([O-:42])([O-:43])([O-:44])[O-:45].[Na+:46].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[OH2:52].[Os:53](=[O:54])(=[O:55])(=[O:56])=[O:57]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([c:8]1[c:9]2[n:10][cH:11][n:12](-[c:17]3[cH:18][cH:19][c:20]([NH:23][C:24](=[O:25])[NH:26][c:27]4[cH:28][c:29]([C:35]([F:36])([F:37])[F:38])[c:30]([CH:33]=[O:42])[cH:31][cH:32]4)[cH:21][cH:22]3)[c:13]2[n:14][cH:15][n:16]1)[CH3:39])=[O:40]
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7

반응물 6

HCID 923Sodium IonHCID 962WaterHCID 8028TetrahydrofuranHCID 30318Osmium TetroxideHCID 167232PeriodateHCID 59725915methyl-(9-{4-[3-(3-trifluoromethyl-4-vinylphenyl)ureido]phenyl}-9H-purin-6-yl)-carbamic acid tert-butyl ester

생성물 1

HCID 59725906
(9-{4-[3-(4-formyl-3-(trifluoromethyl)phenyl)ureido]phenyl}-9H-purin-6-yl)-methylcarbamic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-9ebfff1441434e0eaa7f72ccc44fbbd6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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