HRID183894

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID7412

Benzoyl chloride

C7H5ClO

HCID8028

Tetrahydrofuran

C4H8O

结构：Cc1cc(C(F)(C(F)(F)F)C(F)(F)F)cc(C)c1NC(=O)c1ccc(C#N)c(N)c1F

HCID59226959

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)c1ccc(C#N)c(NC(=O)c2ccccc2)c1F

HCID59226964

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ea467782898c46b1b3f90bd8a2971c2a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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