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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)-[5-(Isopropyl-methyl-amino)-2-(3-oxo-3-{3-[5-(tetrahydro-pyran-2-yloxymethyl)-[1,2,3]triazol-1-yl]-phenyl}-propionylamino)-4-trifluoromethyl-phenyl]-carbamic acid tert-butyl ester

HRID 154516
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인쇄 미리보기

반응식

HRID 154516 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:23])[cH:10][c:11]([C:19]([F:20])([F:21])[F:22])[c:12]([N:14]([CH3:15])[CH:16]([CH3:17])[CH3:18])[cH:13]1)=[O:24].[C:25]([CH3:27])([CH3:28])([O:29][C:30](=[O:26])[CH2:31][C:32]([c:33]1[cH:34][c:35](-[n:39]2[n:40][n:41][cH:42][c:43]2[CH2:44][O:45][CH:46]2[O:47][CH2:48][CH2:49][CH2:50][CH2:51]2)[cH:36][cH:37][cH:38]1)=[O:52])[CH3:53]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:23][C:30](=[O:29])[CH2:31][C:32]([c:33]2[cH:34][c:35](-[n:39]3[n:40][n:41][cH:42][c:43]3[CH2:44][O:45][CH:46]3[O:47][CH2:48][CH2:49][CH2:50][CH2:51]3)[cH:36][cH:37][cH:38]2)=[O:52])[cH:10][c:11]([C:19]([F:20])([F:21])[F:22])[c:12]([N:14]([CH3:15])[CH:16]([CH3:17])[CH3:18])[cH:13]1)=[O:24]
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참가 물질

3

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 69486615Carbamic acid,[2-amino-5-[methyl(1-methylethyl)amino]-4-(trifluoromethyl)phenyl]-,1,1-dimethylethyl ester

생성물 1

HCID 86586889(RS)-[5-(Isopropyl-methyl-amino)-2-(3-oxo-3-{3-[5-(tetrahydro-pyran-2-yloxymethyl)-[1,2,3]triazol-1-yl]-phenyl}-propionylamino)-4-trifluoromethyl-phenyl]-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-6ebedcc77baa4559ae5156c2782682d2
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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