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Potassium Cation → 7-(2-{1-[2-(4-Cyanophenoxy)ethyl]-3-methylureido}ethyl)-9-oxa-3,7-diaza-bicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester

HRID 819238
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인쇄 미리보기

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HRID 819238 반응식
[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([O:7][CH2:8][CH2:9][N:10]([C:11](=[O:12])[NH:13][CH3:14])[CH2:15][CH2:16][O:17][S:18]([c:19]2[cH:20][cH:21][c:22]([CH3:23])[cH:24][cH:25]2)(=[O:26])=[O:27])[cH:28][cH:29]1.[C:30]([CH3:31])([CH3:32])([CH3:33])[O:34][C:35](=[O:36])[N:37]1[CH2:38][CH:39]2[CH2:40][NH:41][CH2:42][CH:43]([CH2:44]1)[O:45]2.[C:46](=[O:47])([O-:48])[O-:49].[CH3:52][C:53]#[N:54].[K+:50].[K+:51].[OH2:55]>>[C:1](#[N:2])[c:3]1[cH:4][cH:5][c:6]([O:7][CH2:8][CH2:9][N:10]([C:11](=[O:12])[NH:13][CH3:14])[CH2:15][CH2:16][N:41]2[CH2:40][CH:39]3[CH2:38][N:37]([C:35]([O:34][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:36])[CH2:44][CH:43]([CH2:42]2)[O:45]3)[cH:28][cH:29]1
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7

반응물 6

HCID 813Potassium Cation2회HCID 962WaterHCID 6342AcetonitrileHCID 19660Carbonate IonHCID 185404123-Boc-9-oxa-3,7-diazabicyclo[3.3.1]nonaneHCID 86616243Toluene-4-sulfonic acid 2-{1-[2-(4-cyanophenoxy)ethyl]-3-methylureido}ethyl ester

생성물 1

HCID 69068022
7-(2-{1-[2-(4-Cyanophenoxy)ethyl]-3-methylureido}ethyl)-9-oxa-3,7-diaza-bicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-1c72f221546646939659d8f09b70b316
출처 데이터셋
Test data from https://doi.org/10.1039/C8SC04228D
DOI
10.1039/C8SC04228D

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