HRID141108

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID12510

Benzene, 1-chloro-4-iodo-

C6H4ClI

HCID105144

Palladium(2+)

Pd+2

反应SMILES：COc1c(C)c(C)c2c(c1C)C(=O)C1(CCC1)CN2

HCID69052376

未命名化合物

PRODUCTS

产物

反应SMILES：COc1c(C)c(C)c2c(c1C)C(=O)C1(CCC1)CN2c1ccc(Cl)cc1

HCID69056792

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-f57e60d85a62485c80e079c4d8c42206
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

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