HRID301949

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID13139

Diethyl phosphorochloridate

C4H10ClO3P

HCID19660

Carbonate

CO3-2

2 次

HCID30165

Iodide ion

I-

HCID13712478

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(OCC)Oc1cc2c(c3ccccc13)Nc1ccccc1S2

HCID13712499

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3835001f2a934af8ae7688a15bdb1a06
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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