HRID1564494

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID7393

4-(1,1-Dimethylethyl)phenol

C10H14O

HCID8028

Tetrahydrofuran

C4H8O

HCID12679

Hexamethylphosphoramide

C6H18N3OP

HCID166653

Hydride

H-

结构：COC(=O)C(Br)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1

HCID20392570

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(Oc1ccc(C(C)(C)C)cc1)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1

HCID12531881

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc7812b782214646a90386650d2d651f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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