HRID675052

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

结构：COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)ccc1OC

HCID22930502

未命名化合物

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2cc([N+](=O)[O-])c(OS(=O)(=O)C(F)(F)F)cc12

HCID59275391

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1c(-c2ccc(F)cc2)oc2cc([N+](=O)[O-])c(-c3ccc(OC)c(C(=O)OC)c3)cc12

HCID67957912

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c07e62efcd9d4133af42044399a3fe28
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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