HRID170968

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID81531

Diisopropylethylamine

C8H19N

结构：O=c1[nH]nc2c(-c3ccncc3)c(-c3ccc(Cl)cc3)ccn12

HCID57799392

未命名化合物

HCID59834809

3-(Chloromethyl)-2-ethyl-6-(trifluoromethyl)pyridine

C9H9ClF3N

PRODUCTS

生成物

结构：CCc1nc(C(F)(F)F)ccc1Cn1nc2c(-c3ccncc3)c(-c3ccc(Cl)cc3)ccn2c1=O

HCID16005347

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7db91bfdcbc349b58f18b4c49ed9c861
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

[CH:44]([N:45]([CH:46]([CH3:47])[CH3:48])[CH2:49][CH3:50])([CH3:51])[CH3:52].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:18]3[cH:19][cH:20][n:21][cH:22][cH:23]3)[c:10]3[n:11]([cH:12][cH:13]2)[c:14](=[O:17])[nH:15][n:16]3)[cH:6][cH:7]1.[Cl:24][CH2:25][c:26]1[c:27]([CH2:36][CH3:37])[n:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]1.[K+:38].[K+:39].[O-:40][C:41]([O-:42])=[O:43].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:18]3[cH:19][cH:20][n:21][cH:22][cH:23]3)[c:10]3[n:11]([cH:12][cH:13]2)[c:14](=[O:17])[n:15]([CH2:25][c:26]2[c:27]([CH2:36][CH3:37])[n:28][c:29]([C:32]([F:33])([F:34])[F:35])[cH:30][cH:31]2)[n:16]3)[cH:6][cH:7]1