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Tetrahydrofuran → tert-butyl 4-{[5-cyano-2-(3,5-dichlorophenoxy) phenyl]sulfonyl}-3-(1H-1,2,4-triazol-1-ylmethyl)-1-piperazinecarboxylate

HRID 1571377
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HRID 1571377 반응식
[C:29](#[N:30])[c:31]1[cH:32][cH:33][c:34]([O:41][c:42]2[cH:43][c:44]([Cl:49])[cH:45][c:46]([Cl:48])[cH:47]2)[c:35]([S:37](=[O:38])(=[O:39])[Cl:40])[cH:36]1.[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH:20]([N:21]([CH:22]([CH3:23])[CH3:24])[CH2:25][CH3:26])([CH3:27])[CH3:28].[n:1]1([CH2:6][CH:7]2[CH2:8][N:9]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:10][CH2:11][NH:12]2)[n:2][cH:3][n:4][cH:5]1>>[n:1]1([CH2:6][CH:7]2[CH2:8][N:9]([C:13](=[O:14])[O:15][C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:10][CH2:11][N:12]2[S:37]([c:35]2[c:34]([O:41][c:42]3[cH:43][c:44]([Cl:49])[cH:45][c:46]([Cl:48])[cH:47]3)[cH:33][cH:32][c:31]([C:29]#[N:30])[cH:36]2)(=[O:38])=[O:39])[n:2][cH:3][n:4][cH:5]1
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반응물 4

HCID 8028TetrahydrofuranHCID 81531DiisopropylethylamineHCID 592082825-Cyano-2-(3,5-dichlorophenoxy)phenylsulfonylchlorideHCID 59208292tert-butyl 3-(1H-1,2,4-triazol-1-ylmethyl)-1-piperazinecarboxylate

생성물 1

HCID 59208297tert-butyl 4-{[5-cyano-2-(3,5-dichlorophenoxy) phenyl]sulfonyl}-3-(1H-1,2,4-triazol-1-ylmethyl)-1-piperazinecarboxylate

출처 및 근거

ORD 기록
ord-8eb7a5be919d46469c1d08e6eb06ecda
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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