HRID125325

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID12724

4-Methyl-1-pentene

C6H12

HCID24290

未命名化合物

HCID78966

9-Borabicyclo[3.3.1]nonane

C8H15B

结构：COc1cc(-c2oc3cc(I)ccc3c(=O)c2OCc2ccccc2)cc(OC)c1OC

HCID57887294

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-c2oc3cc(CCCC(C)C)ccc3c(=O)c2OCc2ccccc2)cc(OC)c1OC

HCID57887333

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fbae1958d4594e04abe1bc82cb760228
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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