HRID690662

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

3 次

HCID923

Sodium ion

Na+

HCID1061

Phosphate

O4P-3

HCID8070

N,N'-Dimethylethane-1,2-diamine

C4H12N2

HCID12025

2-Pyrrolidinone

C4H7NO

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID31275

1,4-Dioxane

C4H8O2

结构：COc1cn(-c2cccc(Br)c2F)nc(-c2ccnn2-c2ccccc2)c1=O

HCID58072344

未命名化合物

PRODUCTS

生成物

结构：COc1cn(-c2cccc(N3CCCC3=O)c2F)nc(-c2ccnn2-c2ccccc2)c1=O

HCID58072392

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d5d9068dffa243309175275185fa2ca2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[Br:1][c:2]1[c:3]([F:28])[c:4](-[n:8]2[n:9][c:10](-[c:17]3[cH:18][cH:19][n:20][n:21]3-[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[c:11](=[O:16])[c:12]([O:14][CH3:15])[cH:13]2)[cH:5][cH:6][cH:7]1.[CH2:54]1[O:55][CH2:56][CH2:57][O:58][CH2:59]1.[CH3:35][NH:36][CH2:37][CH2:38][NH:39][CH3:40].[Cu:60][I:61].[K+:46].[K+:47].[K+:48].[NH:29]1[C:30](=[O:34])[CH2:31][CH2:32][CH2:33]1.[Na+:53].[O-:49][C:50]([OH:51])=[O:52].[P:41]([O-:42])([O-:43])([O-:44])=[O:45]>>[c:2]1([N:29]2[C:30](=[O:34])[CH2:31][CH2:32][CH2:33]2)[c:3]([F:28])[c:4](-[n:8]2[n:9][c:10](-[c:17]3[cH:18][cH:19][n:20][n:21]3-[c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)[c:11](=[O:16])[c:12]([O:14][CH3:15])[cH:13]2)[cH:5][cH:6][cH:7]1