HRID1540334

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID813

Potassium cation

K+

3 次

HCID7751

Ethyl chloroacetate

C4H7ClO2

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

结构：CC(C)(C)c1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(O)cc3O)n2)cc1

HCID135804504

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)COc1ccc(-c2nc(-c3ccc(C(C)(C)C)cc3)nc(-c3ccc(C(C)(C)C)cc3)n2)c(O)c1

HCID135740039

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f392cf4aad0148dbb91d08f939090b3d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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