HRID905553

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COc1ccc2c(OC3CC4C(=O)NC5(C(=O)O)CC5C=CCCCCN(C)C(=O)N4C3)nc(-c3nc(C(C)C)cs3)cc2c1

HCID67387929

未命名化合物

结构：COc1ccc2c(OC3CC4C(=O)NC5(C(=O)NS(=O)(=O)C6CC6)CC5C=CCCCCN(C)C(=O)N4C3)nc(Cl)cc2c1

HCID76674828

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(OC3CC4C(=O)NC5(C(=O)NS(=O)(=O)C6CC6)CC5C=CCCCCN(C)C(=O)N4C3)nc(-c3nc(C(C)C)cs3)cc2c1

HCID67387569

未命名化合物

PROCEDURE

实验过程

The title product 70 was prepared from 17-[3-(4-isopropylthiazol-2-yl)-6-methoxyisoquinolin-1-yloxy]-13-methyl-2,14-dioxo-3,13,15-triaza-tricyclo[13.3.0.04,6]octadec-7-ene-4-carboxylic acid (69) following the same procedures described for the preparation of N-[17-(3-chloro-6-methoxyisoquinolin-1-yloxy)-13-methyl-2,14-dioxo-3,13,15-triaza-tricyclo[13.3.0.04,6]octadec-7-ene-4-carbonyl](cyclopropyl)sulfonamide (43, Example 11): m/z=737 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-81037ab9ba724edd8c23bdd6f451896c
来源数据集: uspto-grants-2011_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08012939B2
来源说明: uspto-grants-2011_09

反应 SMILES

[CH:1]([C:4]1[N:5]=[C:6]([C:9]2[N:10]=[C:11]([O:21][CH:22]3[CH2:39][CH:38]4[N:24]([C:25](=[O:45])[N:26]([CH3:44])[CH2:27][CH2:28][CH2:29][CH2:30][CH:31]=[CH:32][CH:33]5[C:35]([C:41]([OH:43])=O)([NH:36][C:37]4=[O:40])[CH2:34]5)[CH2:23]3)[C:12]3[C:17]([CH:18]=2)=[CH:16][C:15]([O:19][CH3:20])=[CH:14][CH:13]=3)[S:7][CH:8]=1)([CH3:3])[CH3:2].ClC1N=C(OC2CC3N(C(=O)N(C)CCCCC=CC4C(C([NH:81][S:82]([CH:85]5[CH2:87][CH2:86]5)(=[O:84])=[O:83])=O)(NC3=O)C4)C2)C2C(C=1)=CC(OC)=CC=2>>[CH:1]([C:4]1[N:5]=[C:6]([C:9]2[N:10]=[C:11]([O:21][CH:22]3[CH2:39][CH:38]4[N:24]([C:25](=[O:45])[N:26]([CH3:44])[CH2:27][CH2:28][CH2:29][CH2:30][CH:31]=[CH:32][CH:33]5[C:35]([C:41]([NH:81][S:82]([CH:85]6[CH2:87][CH2:86]6)(=[O:84])=[O:83])=[O:43])([NH:36][C:37]4=[O:40])[CH2:34]5)[CH2:23]3)[C:12]3[C:17]([CH:18]=2)=[CH:16][C:15]([O:19][CH3:20])=[CH:14][CH:13]=3)[S:7][CH:8]=1)([CH3:3])[CH3:2]