HRID144694

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

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID4191557

未命名化合物

结构：O=C(NCc1ccc(-c2ccn(CCl)c(=O)c2)cc1)c1c(Cl)cccc1Cl

HCID86675421

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OP(=O)(OCn1ccc(-c2ccc(CNC(=O)c3c(Cl)cccc3Cl)cc2)cc1=O)OC(C)(C)C

HCID71149943

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3c7a1608a2004f679cd86c27a4e91e7a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:28](=[O:29])([O-:30])[O-:31].[C:34]([CH3:35])([CH3:36])([CH3:37])[O:38][P:39](=[O:40])([O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[O-:46].[CH2:60]([N+:61]([CH2:62][CH2:63][CH2:64][CH3:65])([CH2:66][CH2:67][CH2:68][CH3:69])[CH2:70][CH2:71][CH2:72][CH3:73])[CH2:74][CH2:75][CH3:76].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][c:8]2[cH:9][cH:10][c:11](-[c:14]3[cH:15][c:16](=[O:22])[n:17]([CH2:20][Cl:21])[cH:18][cH:19]3)[cH:12][cH:13]2)[c:23]([Cl:27])[cH:24][cH:25][cH:26]1.[I-:59].[K+:32].[K+:33].[K+:47].[O:54]=[CH:55][N:56]([CH3:57])[CH3:58]>>[Cl:1][c:2]1[c:3]([C:4](=[O:5])[NH:6][CH2:7][c:8]2[cH:9][cH:10][c:11](-[c:14]3[cH:15][c:16](=[O:22])[n:17]([CH2:20][O:46][P:39]([O:38][C:34]([CH3:35])([CH3:36])[CH3:37])(=[O:40])[O:41][C:42]([CH3:43])([CH3:44])[CH3:45])[cH:18][cH:19]3)[cH:12][cH:13]2)[c:23]([Cl:27])[cH:24][cH:25][cH:26]1