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Tetrahydrofuran → tert-butyl 4-((2-(((3,5-bis(trifluoromethyl)benzyl)(2-methyl-2H-tetrazol-5-yl)amino)methyl)-4-(trifluoromethyl)phenyl)(hydroxy)methyl)piperidine-1-carboxylate

HRID 677500
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인쇄 미리보기

반응식

HRID 677500 반응식
[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH:35](=[O:36])[CH:37]1[CH2:38][CH2:39][N:40]([C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[CH2:41][CH2:42]1.[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][n:10][n:11]([CH3:13])[n:12]2)[CH2:14][c:15]2[c:16]([Br:25])[cH:17][cH:18][c:19]([C:21]([F:22])([F:23])[F:24])[cH:20]2)[cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]1)([F:33])[F:34]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][n:10][n:11]([CH3:13])[n:12]2)[CH2:14][c:15]2[c:16]([CH:35]([OH:36])[CH:37]3[CH2:38][CH2:39][N:40]([C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])[CH2:41][CH2:42]3)[cH:17][cH:18][c:19]([C:21]([F:22])([F:23])[F:24])[cH:20]2)[cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]1)([F:33])[F:34]
참가 물질출처 및 근거반응 노트

참가 물질

4

반응물 3

HCID 8028TetrahydrofuranHCID 1514430tert-Butyl 4-formylpiperidine-1-carboxylateHCID 58966468(3,5-bis-trifluoromethyl-benzyl)-(2-bromo-5-trifluoromethyl-benzyl)-(2-methyl-2H-tetrazol-5-yl)amine

생성물 1

HCID 58968740tert-butyl 4-((2-(((3,5-bis(trifluoromethyl)benzyl)(2-methyl-2H-tetrazol-5-yl)amino)methyl)-4-(trifluoromethyl)phenyl)(hydroxy)methyl)piperidine-1-carboxylate

출처 및 근거

ORD 기록
ord-d010d73e71494fb88503840670347d1a
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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