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Hydrochloric Acid → 3-[2-(trifluoromethyl)-2'-fluoro-4'-bromobenzhydryloxy]-N-(tert-butyl)azetidine-1-carboxamide

HRID 672122
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HRID 672122 반응식
[C:26]([CH3:27])([CH3:28])([CH3:29])[N:30]=[C:31]=[O:32].[Cl:33][c:34]1[cH:35][c:36]([Cl:37])[cH:38][cH:39][c:40]1[CH:41]([O:42][CH:43]1[CH2:44][N:45]([C:46]([NH:47][C:48]([CH3:49])([CH3:50])[CH3:51])=[O:52])[CH2:53]1)[c:54]1[cH:55][cH:56][c:57]([Cl:58])[cH:59][cH:60]1.[ClH:1].[F:2][C:3]([c:4]1[c:5]([CH:6]([c:7]2[c:8]([F:14])[cH:9][c:10]([Br:13])[cH:11][cH:12]2)[O:15][CH:16]2[CH2:17][NH:18][CH2:19]2)[cH:20][cH:21][cH:22][cH:23]1)([F:24])[F:25]>>[F:2][C:3]([c:4]1[c:5]([CH:6]([c:7]2[c:8]([F:14])[cH:9][c:10]([Br:13])[cH:11][cH:12]2)[O:15][CH:16]2[CH2:17][N:18]([C:31]([NH:30][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:32])[CH2:19]2)[cH:20][cH:21][cH:22][cH:23]1)([F:24])[F:25]
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반응물 4

HCID 313Hydrochloric AcidHCID 62412tert-Butyl isocyanateHCID 114420773-(2,4,4'-trichlorobenzhydryloxy)-N-(tert-butyl)azetidine-1-carboxamideHCID 866111603-[(4-Bromo-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methoxy]azetidine

생성물 1

HCID 99358503-[2-(trifluoromethyl)-2'-fluoro-4'-bromobenzhydryloxy]-N-(tert-butyl)azetidine-1-carboxamide

출처 및 근거

ORD 기록
ord-b4296862a05f4a28acbea74c73f9aead
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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