HCID 69486686, 화합물 → (5-Cyclopropylmethoxy-2-{3-[3-(2-methyl-pyridin-4-yl)-phenyl]-3-oxo-propionylamino}-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester

HRID 317087

반응식

HRID 317087 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]([O:14][CH2:15][CH:16]2[CH2:17][CH2:18]2)[cH:13]1)=[O:24].[C:25]([CH3:27])([CH3:28])([O:29][C:30](=[O:26])[CH2:31][C:32](=[O:33])[c:34]1[cH:35][c:36](-[c:40]2[cH:41][c:42]([CH3:46])[n:43][cH:44][cH:45]2)[cH:37][cH:38][cH:39]1)[CH3:47]>>[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](=[O:33])[c:34]2[cH:35][c:36](-[c:40]3[cH:41][c:42]([CH3:46])[n:43][cH:44][cH:45]3)[cH:37][cH:38][cH:39]2)[cH:10][c:11]([C:19]([F:20])([F:21])[F:22])[c:12]([O:14][CH2:15][CH:16]2[CH2:17][CH2:18]2)[cH:13]1)=[O:24]

참가 물질

3

반응물 2

HCID 69486686HCID 69486686, 화합물HCID 694893073-[3-(2-Methyl-pyridin-4-yl)-phenyl]-3-oxo-propionic acid tert-butyl ester

생성물 1

HCID 86589361(5-Cyclopropylmethoxy-2-{3-[3-(2-methyl-pyridin-4-yl)-phenyl]-3-oxo-propionylamino}-4-trifluoromethyl-phenyl)-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록
ord-c68cbf18525b4e2ea49c0a7ca4069931
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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