HRID1118819

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

3 次

HCID813

Potassium cation

K+

HCID947

Nitrogen

HCID8857

Ethyl acetate

C4H8O2

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID105144

Palladium(2+)

Pd+2

HCID66721475

未命名化合物

HCID68840997

未命名化合物

PRODUCTS

生成物

结构：CCCC(CCC)c1cc(C)nn2c(-c3sc(-c4ncnn4C)cc3Cl)c(C)nc12

HCID57932923

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-51e82c7e8da94b97a17c491c474fb3ec
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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