HRID2310968

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID712

Formaldehyde

CH2O

HCID923

Sodium ion

Na+

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID2724942

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC2(CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1

HCID67463492

未命名化合物

PRODUCTS

生成物

结构：CN1CCC2(CCC(Oc3ccc(Cl)c(Cl)c3)CC2)CC1

HCID16006655

9-(3,4-Dichlorophenoxy)-3-methyl-3-azaspiro[5.5]undecane

C17H23Cl2NO

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ca2eb1aaea434954aa1cb837d9c53bfb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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