HRID134649

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID87439

Benzamide, 2,6-difluoro-

C7H5F2NO

HCID104967

Cesium(1+)

Cs+

2 次

结构：Fc1cccc(Nc2nccc(-c3c(-c4cccc(Br)c4)nn4cc(C(F)(F)F)ccc34)n2)c1

HCID59513856

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1cccc(-c2nn3cc(C(F)(F)F)ccc3c2-c2ccnc(Nc3cccc(F)c3)n2)c1)c1c(F)cccc1F

HCID59513794

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-418ee23b62c94d3b96ccc0f07c1fc73b
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

[Br:1][c:2]1[cH:3][c:4](-[c:8]2[n:9][n:10]3[c:11]([cH:12][cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]3)[c:20]2-[c:21]2[n:22][c:23]([NH:27][c:28]3[cH:29][c:30]([F:34])[cH:31][cH:32][cH:33]3)[n:24][cH:25][cH:26]2)[cH:5][cH:6][cH:7]1.[C:35](=[O:36])([O-:37])[O-:38].[Cs+:39].[Cs+:40].[F:41][c:42]1[c:43]([C:44](=[O:45])[NH2:46])[c:47]([F:51])[cH:48][cH:49][cH:50]1.[O:52]1[CH2:53][CH2:54][O:55][CH2:56][CH2:57]1>>[c:2]1([NH:46][C:44]([c:43]2[c:42]([F:41])[cH:50][cH:49][cH:48][c:47]2[F:51])=[O:45])[cH:3][c:4](-[c:8]2[n:9][n:10]3[c:11]([cH:12][cH:13][c:14]([C:16]([F:17])([F:18])[F:19])[cH:15]3)[c:20]2-[c:21]2[n:22][c:23]([NH:27][c:28]3[cH:29][c:30]([F:34])[cH:31][cH:32][cH:33]3)[n:24][cH:25][cH:26]2)[cH:5][cH:6][cH:7]1