HRID213464

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID105144

Palladium(2+)

Pd+2

HCID2779367

5-bromo-2-(trifluoromethoxy)aniline

C7H5BrF3NO

HCID86663123

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cc(-c2ccnc(I)n2)n(CC(F)(F)F)c1

HCID87560484

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a6f7ae58d8504259b83b2e222bc54d7a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([O:6][C:10]([F:11])([F:12])[F:13])[c:7]([NH2:9])[cH:8]1.[C:32](=[O:33])([O-:34])[O-:35].[C:43]([O-:44])(=[O:45])[CH3:46].[C:48]([O-:49])(=[O:50])[CH3:51].[CH2:14]([CH3:15])[O:16][C:17](=[O:18])[c:19]1[cH:20][n:21]([CH3:31])[c:22](-[c:24]2[n:25][c:26]([I:30])[n:27][cH:28][cH:29]2)[cH:23]1.[CH3:38][N:39]([CH3:40])[CH:41]=[O:42].[K+:36].[K+:37].[Pd+2:47]>>[C:10]([F:11])([F:12])([F:13])[CH2:31][n:21]1[cH:20][c:19]([C:17]([O:16][CH2:14][CH3:15])=[O:18])[cH:23][c:22]1-[c:24]1[n:25][c:26]([I:30])[n:27][cH:28][cH:29]1