HRID139799

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID674

Dimethylamine

C2H7N

HCID8028

Tetrahydrofuran

C4H8O

HCID16028

Tetrabutylammonium

C16H36N+

HCID28179

Fluoride

F-

HCID30165

Iodide ion

I-

HCID81531

Diisopropylethylamine

C8H19N

HCID104967

Cesium(1+)

Cs+

结构：Cn1cc(-c2ccncc2)c(-c2ccc(OCc3cc(Cl)c4ccccc4n3)cc2)n1

HCID11597089

未命名化合物

PRODUCTS

生成物

结构：CN(C)c1cc(COc2ccc(-c3nn(C)cc3-c3ccncc3)cc2)nc2ccccc12

HCID11711771

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44b8579b44ed4461bfe819e6d7156229
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

[CH2:52]([N+:53]([CH2:54][CH2:55][CH2:56][CH3:57])([CH2:58][CH2:59][CH2:60][CH3:61])[CH2:62][CH2:63][CH2:64][CH3:65])[CH2:66][CH2:67][CH3:68].[CH3:32][NH:33][CH3:34].[CH:37]([N:38]([CH:39]([CH3:40])[CH3:41])[CH2:42][CH3:43])([CH3:44])[CH3:45].[Cl:1][c:2]1[cH:3][c:4]([CH2:12][O:13][c:14]2[cH:15][cH:16][c:17](-[c:20]3[n:21][n:22]([CH3:31])[cH:23][c:24]3-[c:25]3[cH:26][cH:27][n:28][cH:29][cH:30]3)[cH:18][cH:19]2)[n:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12.[Cs+:36].[F-:35].[I-:51].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1>>[c:2]1([N:33]([CH3:32])[CH3:34])[cH:3][c:4]([CH2:12][O:13][c:14]2[cH:15][cH:16][c:17](-[c:20]3[n:21][n:22]([CH3:31])[cH:23][c:24]3-[c:25]3[cH:26][cH:27][n:28][cH:29][cH:30]3)[cH:18][cH:19]2)[n:5][c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]12