HRID101178

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(C)(C)OC(=O)n1c(Br)ccc1C(=O)OCc1ccccc1

HCID66683083

未命名化合物

结构：COCC(C)Oc1cc(O)cc(B2OC(C)(C)C(C)(C)O2)c1

HCID178495513

未命名化合物

PRODUCTS

生成物

结构：COCC(C)Oc1cc(O)cc(-c2ccc(C(=O)OCc3ccccc3)n2C(=O)OC(C)(C)C)c1

HCID178495522

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e51e604b942949769a60cf5a5081cece
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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