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tert-butyl N-(2-amino-4-(trifluoromethyl)phenyl)carbamate → (RS)-[2-(3-{3-[2-Methyl-6-(tetrahydro-pyran-2-yloxymethyl)-pyridin-4-yl]-phenyl}-3-oxo-propionylamino)-4-trifluoromethyl-phenyl]-carbamic acid tert-butyl ester

HRID 97445
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반응식

HRID 97445 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:18])[cH:10][c:11]([C:14]([F:15])([F:16])[F:17])[cH:12][cH:13]1)=[O:19].[C:20]([CH3:22])([CH3:23])([O:24][C:25](=[O:21])[CH2:26][C:27](=[O:28])[c:29]1[cH:30][c:31](-[c:35]2[cH:36][c:37]([CH3:49])[n:38][c:39]([CH2:41][O:42][CH:43]3[O:44][CH2:45][CH2:46][CH2:47][CH2:48]3)[cH:40]2)[cH:32][cH:33][cH:34]1)[CH3:50]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:18][C:25](=[O:24])[CH2:26][C:27](=[O:28])[c:29]2[cH:30][c:31](-[c:35]3[cH:36][c:37]([CH3:49])[n:38][c:39]([CH2:41][O:42][CH:43]4[O:44][CH2:45][CH2:46][CH2:47][CH2:48]4)[cH:40]3)[cH:32][cH:33][cH:34]2)[cH:10][c:11]([C:14]([F:15])([F:16])[F:17])[cH:12][cH:13]1)=[O:19]
참가 물질출처 및 근거반응 노트

참가 물질

3

반응물 2

HCID 24689211tert-butyl N-(2-amino-4-(trifluoromethyl)phenyl)carbamateHCID 69489452(RS)-3-{3-[2-Methyl-6-(tetrahydro-pyran-2-yloxymethyl)-pyridin-4-yl]-phenyl}-3-oxo-propionic acid tert-butyl ester

생성물 1

HCID 86589469(RS)-[2-(3-{3-[2-Methyl-6-(tetrahydro-pyran-2-yloxymethyl)-pyridin-4-yl]-phenyl}-3-oxo-propionylamino)-4-trifluoromethyl-phenyl]-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-9869f5c302be4343b560ca14cf8bfd15
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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