HRID1202388

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID60984

Methyl bromoacetate

C3H5BrO2

结构：CC(C)(COCc1cccc(Oc2ccccc2)c1)c1ccc(O)cc1

HCID157700

4-Hydroxyneophyl 3-phenoxybenzyl ether

C23H24O3

HCID166653

Hydride

H-

PRODUCTS

生成物

结构：COC(=O)COc1ccc(C(C)(C)COCc2cccc(Oc3ccccc3)c2)cc1

HCID19972040

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7cc5e1b914814bf69c462671f6111dd0
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

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