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(RS)-3-oxo-3-{3-[5-(tetrahydro-pyran-2-yloxymethyl)-[1,2,3]triazol-1-yl]-phenyl}-propionic acid tert-butyl ester → (RS)-[2'-Fluoro-5-(3-oxo-3-{3-[5-(tetrahydro-pyran-2-yloxymethyl)-[1,2,3]triazol-1-yl]-phenyl}-propionylamino)-2-(2,2,2-trifluoro-ethoxy)-biphenyl-4-yl]-carbamic acid tert.-butyl ester

HRID 174705
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HRID 174705 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][c:10]([O:22][CH2:23][C:24]([F:25])([F:26])[F:27])[c:11](-[c:15]2[c:16]([F:21])[cH:17][cH:18][cH:19][cH:20]2)[cH:12][c:13]1[NH2:14])=[O:28].[C:29]([CH3:31])([CH3:32])([O:33][C:34](=[O:30])[CH2:35][C:36]([c:37]1[cH:38][c:39](-[n:43]2[n:44][n:45][cH:46][c:47]2[CH2:48][O:49][CH:50]2[O:51][CH2:52][CH2:53][CH2:54][CH2:55]2)[cH:40][cH:41][cH:42]1)=[O:56])[CH3:57]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[cH:9][c:10]([O:22][CH2:23][C:24]([F:25])([F:26])[F:27])[c:11](-[c:15]2[c:16]([F:21])[cH:17][cH:18][cH:19][cH:20]2)[cH:12][c:13]1[NH:14][C:34](=[O:33])[CH2:35][C:36]([c:37]1[cH:38][c:39](-[n:43]2[n:44][n:45][cH:46][c:47]2[CH2:48][O:49][CH:50]2[O:51][CH2:52][CH2:53][CH2:54][CH2:55]2)[cH:40][cH:41][cH:42]1)=[O:56])=[O:28]
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반응물 2

HCID 12048028(RS)-3-oxo-3-{3-[5-(tetrahydro-pyran-2-yloxymethyl)-[1,2,3]triazol-1-yl]-phenyl}-propionic acid tert-butyl esterHCID 69688642[5-Amino-2'-fluoro-2-(2,2,2-trifluoro-ethoxy)-biphenyl-4-yl]-carbamic acid tert.-butyl ester

생성물 1

HCID 86586821(RS)-[2'-Fluoro-5-(3-oxo-3-{3-[5-(tetrahydro-pyran-2-yloxymethyl)-[1,2,3]triazol-1-yl]-phenyl}-propionylamino)-2-(2,2,2-trifluoro-ethoxy)-biphenyl-4-yl]-carbamic acid tert.-butyl ester

출처 및 근거

ORD 기록
ord-cfc7a177c1a64f47a7330f49ce603f94
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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