HRID250341

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID89016

(S)-Alanine tert-butyl ester

C7H15NO2

结构：COCc1nc(C(=O)O)c(OCc2ccccc2)c2ccc(Oc3ccccc3)cc12

HCID66712830

未命名化合物

PRODUCTS

生成物

结构：COCc1nc(C(=O)N[C@@H](C)C(=O)OC(C)(C)C)c(OCc2ccccc2)c2ccc(Oc3ccccc3)cc12

HCID66713199

未命名化合物

PROCEDURE

实验过程

Synthesized from (S)-alanin tert-butyl ester and 4-Benzyloxy-1-methoxymethyl-7-phenoxy-isoquinoline-3-carboxylic acid (Example A-68 c) in analogy to Example A-68 d); MS-(+)-ion: M+23=565.2.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3e39da9739f14b4c98fea514d4fd37ce
来源数据集: uspto-grants-2011_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07863292B2
来源说明: uspto-grants-2011_01

反应 SMILES

[C:1]([O:5][C:6](=[O:10])[C@H:7]([CH3:9])[NH2:8])([CH3:4])([CH3:3])[CH3:2].[CH2:11]([O:18][C:19]1[C:28]2[C:23](=[CH:24][C:25]([O:29][C:30]3[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=3)=[CH:26][CH:27]=2)[C:22]([CH2:36][O:37][CH3:38])=[N:21][C:20]=1[C:39](O)=[O:40])[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1>>[C:1]([O:5][C:6](=[O:10])[C@@H:7]([NH:8][C:39]([C:20]1[N:21]=[C:22]([CH2:36][O:37][CH3:38])[C:23]2[C:28]([C:19]=1[O:18][CH2:11][C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1)=[CH:27][CH:26]=[C:25]([O:29][C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=1)[CH:24]=2)=[O:40])[CH3:9])([CH3:4])([CH3:3])[CH3:2]