HRID460010

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9855518

4-(Chloromethyl)-5-methyl-2H-1,3-dioxol-2-one

C5H5ClO3

结构：CC(C)N1CCC(NC(=O)c2cc3cc(C(=O)O)ccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1

HCID22394458

未命名化合物

结构：CC(C)N1CCC(NC(=O)c2cc3c(C(=O)O)cccc3n2CC(=O)Nc2ccc(Cl)cn2)CC1

HCID68561939

未命名化合物

PRODUCTS

生成物

结构：Cc1oc(=O)oc1COC(=O)c1ccc2c(c1)cc(C(=O)NC1CCN(C(C)C)CC1)n2Cc1cc(-c2ccc(Cl)s2)on1

HCID20801186

未命名化合物

PROCEDURE

实验过程

The title compound was prepared analogously to example 5 with the difference that 4-Chloromethyl-5-methyl-[1,3]dioxol-2-one and 1-[5-(5-Chloro-thiophen-2-yl)-isoxazol-3-ylmethyl]-2-(1-isopropyl-piperidin-4-ylcarbamoyl)-1H-indole-5-carboxylic acid was used instead of Carbonic acid 1-chloro-ethyl ester 2-methoxy-ethyl ester and 1-[(5-Chloro-pyridin-2-ylcarbamoyl)-methyl]-2-(1-isopropyl-piperidin-4-ylcarbamoyl)-1H-indole-4-carboxylic acid. MS (ES+): m/e=639, chloro pattern.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0cc351eae56847418c6e6a2018c606f1
来源数据集: uspto-grants-2007_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07196103B2
来源说明: uspto-grants-2007_03

反应 SMILES

Cl[CH2:2][C:3]1[O:4][C:5](=[O:9])[O:6][C:7]=1[CH3:8].[Cl:10][C:11]1[S:15][C:14]([C:16]2[O:20][N:19]=[C:18]([CH2:21][N:22]3[C:30]4[C:25](=[CH:26][C:27]([C:31]([OH:33])=[O:32])=[CH:28][CH:29]=4)[CH:24]=[C:23]3[C:34](=[O:45])[NH:35][CH:36]3[CH2:41][CH2:40][N:39]([CH:42]([CH3:44])[CH3:43])[CH2:38][CH2:37]3)[CH:17]=2)=[CH:13][CH:12]=1.ClC1C=CC(NC(CN2C3C=CC=C(C(O)=O)C=3C=C2C(=O)NC2CCN(C(C)C)CC2)=O)=NC=1>>[CH3:8][C:7]1[O:6][C:5](=[O:9])[O:4][C:3]=1[CH2:2][O:33][C:31]([C:27]1[CH:26]=[C:25]2[C:30](=[CH:29][CH:28]=1)[N:22]([CH2:21][C:18]1[CH:17]=[C:16]([C:14]3[S:15][C:11]([Cl:10])=[CH:12][CH:13]=3)[O:20][N:19]=1)[C:23]([C:34](=[O:45])[NH:35][CH:36]1[CH2:37][CH2:38][N:39]([CH:42]([CH3:43])[CH3:44])[CH2:40][CH2:41]1)=[CH:24]2)=[O:32]