HRID309878

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID69097

Benzene, 2-iodo-1,3-dimethyl-

C8H9I

HCID80271

Phosphine, tris(2-methylphenyl)-

C21H21P

HCID81531

Diisopropylethylamine

C8H19N

HCID105144

Palladium(2+)

Pd+2

结构：C=Cn1cnc2c(Nc3ccc(P(C)(C)=O)cc3)nc(Cl)nc21

HCID86631260

未命名化合物

PRODUCTS

生成物

结构：Cc1cccc(C)c1C=Cn1cnc2c(Nc3ccc(P(C)(C)=O)cc3)nc(Cl)nc21

HCID90840249

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-23a0a974ce164534889191c2d752e65c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:64][CH2:65][O:66][C:67]([CH3:68])=[O:69].[CH:55]([N:56]([CH2:57][CH3:58])[CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[Cl:1][c:2]1[n:3][c:4]([NH:13][c:14]2[cH:15][cH:16][c:17]([P:20](=[O:21])([CH3:22])[CH3:23])[cH:18][cH:19]2)[c:5]2[n:6][cH:7][n:8]([CH:11]=[CH2:12])[c:9]2[n:10]1.[I:46][c:47]1[c:48]([CH3:54])[cH:49][cH:50][cH:51][c:52]1[CH3:53].[O-:71][C:72]([CH3:73])=[O:74].[O-:75][C:76]([CH3:77])=[O:78].[Pd+2:70].[c:24]1([CH3:25])[cH:26][cH:27][cH:28][cH:29][c:30]1[P:31]([c:32]1[cH:33][cH:34][cH:35][cH:36][c:37]1[CH3:38])[c:39]1[cH:40][cH:41][cH:42][cH:43][c:44]1[CH3:45]>>[Cl:1][c:2]1[n:3][c:4]([NH:13][c:14]2[cH:15][cH:16][c:17]([P:20](=[O:21])([CH3:22])[CH3:23])[cH:18][cH:19]2)[c:5]2[n:6][cH:7][n:8]([CH:11]=[CH:12][c:47]3[c:48]([CH3:54])[cH:49][cH:50][cH:51][c:52]3[CH3:53])[c:9]2[n:10]1