HRID208938

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

结构：CC(C)(C)OC(=O)Oc1c(C(F)(F)F)ccc(CBr)c1C(=O)OC(C)(C)C

HCID67119234

未命名化合物

结构：COC(=O)Cc1ccc(-c2ccc(O)cc2)c([N+](=O)[O-])c1

HCID86088130

未命名化合物

PRODUCTS

生成物

结构：COC(=O)Cc1ccc(-c2ccc(OCc3ccc(C(F)(F)F)c(OC(=O)OC(C)(C)C)c3C(=O)OC(C)(C)C)cc2)c([N+](=O)[O-])c1

HCID67119306

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ff234e0512a948cb8a0f21eebaed4d4b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:28][CH2:29][c:30]1[cH:31][cH:32][c:33]([C:51]([F:52])([F:53])[F:54])[c:34]([O:43][C:44](=[O:45])[O:46][C:47]([CH3:48])([CH3:49])[CH3:50])[c:35]1[C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42].[C:1](=[O:2])([O-:3])[O-:4].[CH3:56][C:57](=[O:58])[CH3:59].[K+:5].[K+:6].[OH2:55].[OH:7][c:8]1[cH:9][cH:10][c:11](-[c:14]2[c:15]([N+:25](=[O:26])[O-:27])[cH:16][c:17]([CH2:20][C:21](=[O:22])[O:23][CH3:24])[cH:18][cH:19]2)[cH:12][cH:13]1>>[O:7]([c:8]1[cH:9][cH:10][c:11](-[c:14]2[c:15]([N+:25](=[O:26])[O-:27])[cH:16][c:17]([CH2:20][C:21](=[O:22])[O:23][CH3:24])[cH:18][cH:19]2)[cH:12][cH:13]1)[CH2:29][c:30]1[cH:31][cH:32][c:33]([C:51]([F:52])([F:53])[F:54])[c:34]([O:43][C:44](=[O:45])[O:46][C:47]([CH3:48])([CH3:49])[CH3:50])[c:35]1[C:36](=[O:37])[O:38][C:39]([CH3:40])([CH3:41])[CH3:42]