HRID297070

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID519364

3-Fluoro-5-(trifluoromethyl)benzoyl chloride

C8H3ClF4O

结构：COc1ccc2c(n1)C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC(C)N2C(=O)OC(C)C

HCID58926738

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(n1)C(N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)c1cc(F)cc(C(F)(F)F)c1)CC(C)N2C(=O)OC(C)C

HCID11513174

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-298dcd633e6e48f5b8a6be7c371319ba
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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