HRID1147734

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID11375

3-Aminoquinoline

C9H8N2

结构：CC(C)(C)OC(=O)NC(Cc1ccc(C(F)(F)F)cc1)C(=O)O

HCID2756832

2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(trifluoromethyl)phenyl]propanoic Acid

C15H18F3NO4

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cnc2ccccc2c1

HCID77391424

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a416f4f2e3724e93952ae80ec10dcc15
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:11])[OH:12])[CH2:13][c:14]1[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]1.[CH3:35][CH2:36][O:37][C:38](=[O:39])[CH3:40].[NH2:24][c:25]1[cH:26][n:27][c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[cH:34]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:12])[NH:24][c:25]1[cH:26][n:27][c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[cH:34]1)[CH2:13][c:14]1[cH:15][cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]1