HRID194593

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7912

Diisopropylamine

C6H15N

HCID105144

Palladium(2+)

Pd+2

HCID10997426

4,4,5,5-Tetramethyl-2-(prop-1-en-2-yl)-1,3,2-dioxaborolane

C9H17BO2

HCID66661365

未命名化合物

PRODUCTS

生成物

结构：C=C(C)c1nn(-c2ccsc2)c2cc(C(=O)OC)ccc12

HCID66661623

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4ce0f397dcc444f0bd3d56b9c0d9868d
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[n:3][n:4](-[c:15]2[cH:16][s:17][cH:18][cH:19]2)[c:5]2[cH:6][c:7]([C:11](=[O:12])[O:13][CH3:14])[cH:8][cH:9][c:10]12.[C:20](=[CH2:21])([CH3:22])[B:23]1[O:24][C:25]([CH3:26])([CH3:27])[C:28]([CH3:29])([CH3:30])[O:31]1.[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[CH:32]([NH:33][CH:34]([CH3:35])[CH3:36])([CH3:37])[CH3:38].[O-:45][C:46]([CH3:47])=[O:48].[O-:49][C:50]([CH3:51])=[O:52].[Pd+2:44]>>[c:2]1([C:20](=[CH2:21])[CH3:22])[n:3][n:4](-[c:15]2[cH:16][s:17][cH:18][cH:19]2)[c:5]2[cH:6][c:7]([C:11](=[O:12])[O:13][CH3:14])[cH:8][cH:9][c:10]12