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Potassium Cation → Phenylmethyl 3-{[6-amino-2-(butyloxy)-8-(methyloxy)-9H-purin-9-yl]methyl}-1-piperidinecarboxylate

HRID 1214680
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HRID 1214680 반응식
[Br:31][CH2:32][CH:33]1[CH2:34][N:35]([C:39](=[O:40])[O:41][CH2:42][c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[CH2:36][CH2:37][CH2:38]1.[C:25](=[O:26])([O-:27])[O-:28].[CH2:8]([CH2:9][CH2:10][CH3:11])[O:12][c:13]1[n:14][c:15]([NH2:24])[c:16]2[n:17][c:18]([O:22][CH3:23])[nH:19][c:20]2[n:21]1.[F:1][C:2]([F:3])([F:4])[C:5]([OH:6])=[O:7].[K+:29].[K+:30].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH2:54]>>[CH2:8]([CH2:9][CH2:10][CH3:11])[O:12][c:13]1[n:14][c:15]([NH2:24])[c:16]2[n:17][c:18]([O:22][CH3:23])[n:19]([CH2:32][CH:33]3[CH2:34][N:35]([C:39](=[O:40])[O:41][CH2:42][c:43]4[cH:44][cH:45][cH:46][cH:47][cH:48]4)[CH2:36][CH2:37][CH2:38]3)[c:20]2[n:21]1
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 813Potassium Cation2회HCID 962WaterHCID 6228DimethylformamideHCID 6422Trifluoroacetic acidHCID 19660Carbonate IonHCID 23000675Benzyl 3-(bromomethyl)piperidine-1-carboxylateHCID 574571342-(Butyloxy)-8-(methyloxy)-9H-purin-6-amine

생성물 1

HCID 58306120Phenylmethyl 3-{[6-amino-2-(butyloxy)-8-(methyloxy)-9H-purin-9-yl]methyl}-1-piperidinecarboxylate

출처 및 근거

ORD 기록
ord-8af8f08788b54eae802004dd9661c466
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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