HRID101153

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID1140

Toluene

C7H8

结构：C#CC(C)(C)N1CCC(O)N(c2nnc(C(F)(F)F)s2)C1=O

HCID21400099

未命名化合物

HCID21404050

未命名化合物

PRODUCTS

生成物

结构：C#CC(C)(C)N1CCC(OC(=O)N(CC)c2ccccc2OC)N(c2nnc(C(F)(F)F)s2)C1=O

HCID21404026

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6495db9f6edb45fb9dc088e78d615bad
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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