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(2-Amino-5-methyl-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester → (5-Methyl-2-{3-oxo-3-[3-(2-pyrrolidin-1-yl-pyridin-4-yl)-phenyl]-propionylamino}-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester

HRID 1147547
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반응식

HRID 1147547 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:19])[cH:10][c:11]([C:15]([F:16])([F:17])[F:18])[c:12]([CH3:14])[cH:13]1)=[O:20].[C:21]([CH3:23])([CH3:24])([O:25][C:26](=[O:22])[CH2:27][C:28]([c:29]1[cH:30][c:31](-[c:35]2[cH:36][c:37]([N:41]3[CH2:42][CH2:43][CH2:44][CH2:45]3)[n:38][cH:39][cH:40]2)[cH:32][cH:33][cH:34]1)=[O:46])[CH3:47]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:19][C:26](=[O:25])[CH2:27][C:28]([c:29]2[cH:30][c:31](-[c:35]3[cH:36][c:37]([N:41]4[CH2:42][CH2:43][CH2:44][CH2:45]4)[n:38][cH:39][cH:40]3)[cH:32][cH:33][cH:34]2)=[O:46])[cH:10][c:11]([C:15]([F:16])([F:17])[F:18])[c:12]([CH3:14])[cH:13]1)=[O:20]
참가 물질출처 및 근거반응 노트

참가 물질

3

반응물 2

HCID 67361461(2-Amino-5-methyl-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl esterHCID 694867143-Oxo-3-[3-(2-pyrrolidin-1-yl-pyridin-4-yl)-phenyl]-propionic acid tert-butyl ester

생성물 1

HCID 86589460(5-Methyl-2-{3-oxo-3-[3-(2-pyrrolidin-1-yl-pyridin-4-yl)-phenyl]-propionylamino}-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-7f63380139af453ca745c52f7dc14a06
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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