HRID1553119

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID2777683

3-[3-(Trifluoromethyl)phenyl]propanoic acid

C10H9F3O2

HCID43348973

未命名化合物

PRODUCTS

生成物

结构：O=C(CCc1cccc(C(F)(F)F)c1)NNC(=O)c1ccc2[nH]ncc2c1

HCID68663677

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-971b21d2e8114a4e86e445c55fbb1143
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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