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Sodium Ion → 1-(9-{4-[3-(4-Chloro-3-(trifluoromethyl)phenyl)ureido]phenyl}-9H-purin-6-yl)-3-(2-hydroxyethyl)urea

HRID 92124
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반응식

HRID 92124 반응식
[BH4-:44].[CH2:1]([CH:2]=[CH2:3])[NH:4][C:5](=[O:6])[NH: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:34]([F:35])([F:36])[F:37])[c:30]([Cl:33])[cH:31][cH:32]4)[cH:21][cH:22]3)[c:13]2[n:14][cH:15][n:16]1.[I+3:38]([O-:39])([O-:40])([O-:41])[O-:42].[Na+:43].[Na+:45].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH2:51].[Os:52](=[O:53])(=[O:54])(=[O:55])=[O:56]>>[CH2:1]([CH2:2][OH:39])[NH:4][C:5](=[O:6])[NH: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:34]([F:35])([F:36])[F:37])[c:30]([Cl:33])[cH:31][cH:32]4)[cH:21][cH:22]3)[c:13]2[n:14][cH:15][n:16]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 923Sodium Ion2회HCID 962WaterHCID 8028TetrahydrofuranHCID 28123BorohydrideHCID 30318Osmium TetroxideHCID 167232PeriodateHCID 231550851-Allyl-3-(9-{4-[3-(4-chloro-3-(trifluoromethyl)phenyl)ureido]phenyl}-9H-purin-6-yl)urea

생성물 1

HCID 231551081-(9-{4-[3-(4-Chloro-3-(trifluoromethyl)phenyl)ureido]phenyl}-9H-purin-6-yl)-3-(2-hydroxyethyl)urea

출처 및 근거

ORD 기록
ord-b58d602353984967bc1490e76c9734ea
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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