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Potassium Cation → 3-[3-(3-Phenyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-1,3-benzothiazol-2-one

HRID 2125755
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HRID 2125755 반응식
[C:1]([O:2][C:6](=[O:3])[N:8]1[CH:9]2[CH2:10][CH:11]([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[CH2:12][CH:13]1[CH2:14][CH2:15]2)([CH3:4])([CH3:5])[CH3:7].[Cl:45][CH2:46][Cl:47].[Cl:55][CH2:56][Cl:57].[F:48][C:49]([F:50])([F:51])[C:52]([OH:53])=[O:54].[I:22][CH2:23][CH2:24][CH2:25][n:26]1[c:27](=[O:35])[s:28][c:29]2[c:30]1[cH:31][cH:32][cH:33][cH:34]2.[K+:36].[K+:37].[N-:42]=[C:43]=[O:44].[O-:38][C:39]([O-:40])=[O:41]>>[CH2:6]([N:8]1[CH:9]2[CH2:10][CH:11]([c:16]3[cH:17][cH:18][cH:19][cH:20][cH:21]3)[CH2:12][CH:13]1[CH2:14][CH2:15]2)[CH2:24][CH2:25][n:26]1[c:27](=[O:35])[s:28][c:29]2[c:30]1[cH:31][cH:32][cH:33][cH:34]2
참가 물질출처 및 근거반응 노트

참가 물질

8

반응물 7

HCID 813Potassium Cation2회HCID 6344Dichloromethane2회HCID 6422Trifluoroacetic acidHCID 19660Carbonate IonHCID 105034IsocyanateHCID 219900133-(3-Iodopropyl)-3H-benzothiazol-2-oneHCID 68485697Tert-butyl 3-phenyl-8-azabicyclo[3.2.1]octane-8-carboxylate

생성물 1

HCID 223119673-[3-(3-Phenyl-8-azabicyclo[3.2.1]octan-8-yl)propyl]-1,3-benzothiazol-2-one

출처 및 근거

ORD 기록
ord-b2044ba0bb284cb58215039c2305dcd3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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