HRID1363096

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID90670

m-Formylbenzonitrile

C8H5NO

结构：CC(C)(C)OC(=O)NC1Cc2cc(Cl)ccc2N(Cc2ccccc2)C1

HCID59297049

未命名化合物

结构：O=S(=O)(NC1CNc2ccc(-c3ccc(F)cc3)cc2C1)c1ccccc1

HCID59778193

未命名化合物

PRODUCTS

生成物

结构：N#Cc1cccc(CN2CC(NS(=O)(=O)c3ccccc3)Cc3cc(-c4ccc(F)cc4)ccc32)c1

HCID59778170

未命名化合物

PROCEDURE

实验过程

Compound 113B was prepared from 113A and 3-cyanobenzaldehyde by procedures analogous to those described in 22A. HPLC: 96% at 6.25 min (retention time) (Conditions: Zorbax SB C18 (4.6×75 mm); Eluted with 0% to 100% B, 8 min gradient. (A=90% H2O−10% MeOH−0.1% H3PO4 and B=10% H2O−90% MeOH−0.1% H3PO4); Flow rate at 2.5 mL/min. UV detection at 220 nm). MS (ES): m/z 498 [M+1]+.

WORKUP

后处理

washEluted with 0% to 100% B, 8 min gradient

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7f286745ca44b6691f3da33b06a714b
来源数据集: uspto-grants-2011_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07884113B2
来源说明: uspto-grants-2011_02

反应 SMILES

[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:9]=[C:10]3[C:15](=[CH:16][CH:17]=2)[NH:14][CH2:13][CH:12]([NH:18][S:19]([C:22]2[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=2)(=[O:21])=[O:20])[CH2:11]3)=[CH:4][CH:3]=1.[C:28]([C:30]1[CH:31]=[C:32]([CH:35]=[CH:36][CH:37]=1)[CH:33]=O)#[N:29].C(N1C2C(=CC(Cl)=CC=2)CC(NC(=O)OC(C)(C)C)C1)C1C=CC=CC=1>>[C:28]([C:30]1[CH:31]=[C:32]([CH:35]=[CH:36][CH:37]=1)[CH2:33][N:14]1[C:15]2[C:10](=[CH:9][C:8]([C:5]3[CH:4]=[CH:3][C:2]([F:1])=[CH:7][CH:6]=3)=[CH:17][CH:16]=2)[CH2:11][CH:12]([NH:18][S:19]([C:22]2[CH:23]=[CH:24][CH:25]=[CH:26][CH:27]=2)(=[O:20])=[O:21])[CH2:13]1)#[N:29]