HRID1213187

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID313

Hydrochloric Acid

ClH

HCID7501

Styrene

C8H8

HCID8471

Triethylamine

C6H15N

HCID31275

1,4-Dioxane

C4H8O2

HCID105144

Palladium(2+)

Pd+2

HCID11101094

2,4-NH2PYRIMIDINE,5(3,4MEO-5-I)BENZYL

C13H15IN4O2

PRODUCTS

生成物

结构：COc1cc(Cc2cnc(N)nc2N)cc(C=Cc2ccccc2)c1OC

HCID54217585

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cce7d2ffc41b49d0b018f66e16a5d152
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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