HRID143301

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID3827633

2-Chloro-3-(trifluoromethyl)benzoyl chloride

C8H3Cl2F3O

HCID62587692

未命名化合物

PRODUCTS

生成物

结构：O=C(c1cccc(C(F)(F)F)c1Cl)N1CCn2c(nnc2-c2ccncc2)C1

HCID66599174

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-721fcf4e25f9459e954ea6e5302cfdf5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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