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llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
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Sodium Ion → tert-butyl 4-((2-(((3,5-bis(trifluoromethyl)benzyl)(2-methyl-2H-tetrazol-5-yl)amino)methyl)-4-(trifluoromethyl)phenyl)(methoxy)methyl)piperidine-1-carboxylate

HRID 1212993
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HRID 1212993 반응식
[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH3:51][I:52].[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:25]([CH:26]3[CH2:27][CH2:28][N:29]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:30][CH2:31]3)[OH:39])[cH:17][cH:18][c:19]([C:21]([F:22])([F:23])[F:24])[cH:20]2)[cH:40][c:41]([C:43]([F:44])([F:45])[F:46])[cH:42]1)([F:47])[F:48].[H-:49].[Na+:50]>>[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:25]([CH:26]3[CH2:27][CH2:28][N:29]([C:32](=[O:33])[O:34][C:35]([CH3:36])([CH3:37])[CH3:38])[CH2:30][CH2:31]3)[O:39][CH3:51])[cH:17][cH:18][c:19]([C:21]([F:22])([F:23])[F:24])[cH:20]2)[cH:40][c:41]([C:43]([F:44])([F:45])[F:46])[cH:42]1)([F:47])[F:48]
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반응물 5

HCID 923Sodium IonHCID 6328Methyl iodideHCID 8028TetrahydrofuranHCID 166653HydrideHCID 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

생성물 1

HCID 58968718
tert-butyl 4-((2-(((3,5-bis(trifluoromethyl)benzyl)(2-methyl-2H-tetrazol-5-yl)amino)methyl)-4-(trifluoromethyl)phenyl)(methoxy)methyl)piperidine-1-carboxylate

출처 및 근거

ORD 기록
ord-7b7fe93e9cb141c2bc1ac4ced5b64812
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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