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Potassium Cation → trans-[4-(1-Benzoylaminoisoquinolin-6-ylsulfanyl)cyclohexyl]carbamic acid tert-butyl ester

HRID 1546407
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인쇄 미리보기

반응식

HRID 1546407 반응식
[C:1](=[O:2])([O-:3])[O-:4].[C:7]([CH3:8])([CH3:9])([CH3:10])[O:11][C:12](=[O:13])[NH:14][CH:15]1[CH2:16][CH2:17][CH:18]([O:21][S:22]([CH3:23])(=[O:24])=[O:25])[CH2:19][CH2:20]1.[K+:5].[K+:6].[SH:26][c:27]1[cH:28][c:29]2[cH:30][cH:31][n:32][c:33]([NH:37][C:38]([c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)=[O:45])[c:34]2[cH:35][cH:36]1>>[C:7]([CH3:8])([CH3:9])([CH3:10])[O:11][C:12](=[O:13])[NH:14][CH:15]1[CH2:16][CH2:17][CH:18]([S:26][c:27]2[cH:28][c:29]3[cH:30][cH:31][n:32][c:33]([NH:37][C:38]([c:39]4[cH:40][cH:41][cH:42][cH:43][cH:44]4)=[O:45])[c:34]3[cH:35][cH:36]2)[CH2:19][CH2:20]1
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참가 물질

5

반응물 4

HCID 813Potassium Cation2회HCID 19660Carbonate IonHCID 21882613trans-4-(Boc-amino)cyclohexyl methanesulfonateHCID 136378996N-(6-mercaptoisoquinolin-1-yl)benzamide

생성물 1

HCID 66941548trans-[4-(1-Benzoylaminoisoquinolin-6-ylsulfanyl)cyclohexyl]carbamic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-f56efb147a5d40bf8fbb537e7dc38e2d
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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