HRID1127287

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1049

Pyridine

C5H5N

HCID6212

Chloroform

CHCl3

HCID8028

Tetrahydrofuran

C4H8O

HCID80172

4-Cyanobenzoyl chloride

C8H4ClNO

结构：Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1NC(=O)c1cc(N)cc(C#N)c1

HCID59226954

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1NC(=O)c1cc(C#N)cc(NC(=O)c2ccc(C#N)cc2)c1

HCID86639760

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-04ae0cd3244543f9b8f07fb9bfaa7fad
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:37](#[N:38])[c:39]1[cH:40][cH:41][c:42]([C:43](=[O:44])[Cl:45])[cH:46][cH:47]1.[C:48](=[O:49])([O-:50])[OH:51].[Cl:58][CH:59]([Cl:60])[Cl:61].[NH2:1][c:2]1[cH:3][c:4]([C:29]#[N:30])[cH:5][c:6]([C:7](=[O:8])[NH:9][c:10]2[c:11]([CH3:27])[cH:12][c:13]([C:17]([C:18]([F:19])([F:20])[F:21])([C:22]([F:23])([F:24])[F:25])[F:26])[cH:14][c:15]2[CH3:16])[cH:28]1.[Na+:52].[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1.[cH:31]1[cH:32][cH:33][n:34][cH:35][cH:36]1>>[NH:1]([c:2]1[cH:3][c:4]([C:29]#[N:30])[cH:5][c:6]([C:7](=[O:8])[NH:9][c:10]2[c:11]([CH3:27])[cH:12][c:13]([C:17]([C:18]([F:19])([F:20])[F:21])([C:22]([F:23])([F:24])[F:25])[F:26])[cH:14][c:15]2[CH3:16])[cH:28]1)[C:43]([c:42]1[cH:41][cH:40][c:39]([C:37]#[N:38])[cH:47][cH:46]1)=[O:44]