HRID2323718

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID947

Nitrogen

HCID6342

Acetonitrile

C2H3N

HCID7212

2,4-Dichloro-1-(chloromethyl)benzene

C7H5Cl3

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID53408454

Methyl 6-(trifluoromethyl)-1H-indazole-3-carboxylate

C10H7F3N2O2

PRODUCTS

生成物

结构：COC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2cc(C(F)(F)F)ccc12

HCID11524204

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f72e4d717ffd4a57a78d2b56370ec740
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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