HRID967802

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID589806

Ethyl 3-isocyanatobenzoate

C10H9NO3

结构：COc1c(Br)c(COC23CC4CC(CC(C4)C2)C3)nn1C1CCCCC1

HCID22291997

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1cccc(NC(=O)c2c(COC34CC5CC(CC(C5)C3)C4)nn(C3CCCCC3)c2OC)c1

HCID69797945

未命名化合物

PROCEDURE

实验过程

The compound was prepared by treating 3-(adamantan-1-yloxymethyl)-4-bromo-1-cyclohexyl-5-methoxy-1H-pyrazole with n-butyl lithium and 3-ethoxycarbonylphenyl isocyanate as outlined in Reaction Scheme 4.

WORKUP

后处理

customThe compound was prepared
customas outlined in Reaction Scheme 4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80f314bec98f4d5ab6cec140260bf8b9
来源数据集: uspto-grants-2005_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06956053B2
来源说明: uspto-grants-2005_10

反应 SMILES

[C:1]12([O:11][CH2:12][C:13]3[C:17](Br)=[C:16]([O:19][CH3:20])[N:15]([CH:21]4[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]4)[N:14]=3)[CH2:10][CH:5]3[CH2:6][CH:7]([CH2:9][CH:3]([CH2:4]3)[CH2:2]1)[CH2:8]2.C([Li])CCC.[CH2:32]([O:34][C:35]([C:37]1[CH:38]=[C:39]([N:43]=[C:44]=[O:45])[CH:40]=[CH:41][CH:42]=1)=[O:36])[CH3:33]>>[CH2:32]([O:34][C:35](=[O:36])[C:37]1[CH:42]=[CH:41][CH:40]=[C:39]([NH:43][C:44]([C:17]2[C:13]([CH2:12][O:11][C:1]34[CH2:10][CH:5]5[CH2:6][CH:7]([CH2:9][CH:3]([CH2:4]5)[CH2:2]3)[CH2:8]4)=[N:14][N:15]([CH:21]3[CH2:26][CH2:25][CH2:24][CH2:23][CH2:22]3)[C:16]=2[O:19][CH3:20])=[O:45])[CH:38]=1)[CH3:33]