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Potassium Cation → 1-Tert-butoxycarbonyl-4-[2-(5-fluorobenzimidazol-2-ylthio)ethyl]piperazine

HRID 2133663
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HRID 2133663 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][OH:16])[CH2:12][CH2:13]1.[C:40](=[O:41])([O-:42])[O-:43].[CH2:64]1[O:65][CH2:66][CH2:67][CH2:68]1.[CH3:17][CH2:18][N:19]([CH2:20][CH3:21])[CH2:22][CH3:23].[CH3:24][S:25](=[O:26])(=[O:27])[Cl:28].[CH3:69][N:70]([CH3:71])[c:72]1[cH:73][cH:74][n:75][cH:76][cH:77]1.[F:29][c:30]1[cH:31][c:32]2[c:33]([n:34][c:35]([SH:37])[nH:36]2)[cH:38][cH:39]1.[K+:44].[K+:45].[O:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51][O:52][CH2:53][CH2:54][O:55][CH2:56][CH2:57][O:58][CH2:59][CH2:60][O:61][CH2:62][CH2:63]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][S:37][c:35]2[n:34][c:33]3[c:32]([cH:31][c:30]([F:29])[cH:39][cH:38]3)[nH:36]2)[CH2:12][CH2:13]1
참가 물질출처 및 근거반응 노트

참가 물질

10

반응물 9

HCID 813Potassium Cation2회HCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 142844-(Dimethylamino)pyridineHCID 19660Carbonate IonHCID 2855718-Crown-6HCID 31297Methanesulfonyl chloride
HCID 735736
Tert-butyl 4-(2-hydroxyethyl)piperazine-1-carboxylate
HCID 34348855-Fluoro-1H-benzo[d]imidazole-2(3H)-thione

생성물 1

HCID 231161621-Tert-butoxycarbonyl-4-[2-(5-fluorobenzimidazol-2-ylthio)ethyl]piperazine

출처 및 근거

ORD 기록
ord-81d8681c31024bb5b762c0a729db6e13
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI
10.1039/C8SC04228D

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