HRID1161599

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13396

Benzonitrile, 4-amino-

C7H6N2

HCID2783413

4-Amino-2-fluorobenzonitrile

C7H5FN2

结构：COc1cc([C@H](Nc2ccc(C(=N)N)cc2)c2nn(-c3ccsc3C(=O)O)c(=O)[nH]2)c(F)c2c1OCCO2

HCID136389292

未命名化合物

PRODUCTS

生成物

结构：COc1cc([C@H](Nc2ccc(C(=N)N)c(F)c2)c2nn(-c3ccsc3C(=O)O)c(=O)[nH]2)c(F)c2c1OCCO2

HCID136389303

未命名化合物

PROCEDURE

实验过程

The same procedure was carried out as in Examples (168a) to (168d), except that 2-fluoro-4-aminobenzonitrile [CAS No. 53312-80-4] was used instead of 4-aminobenzonitrile in Example (168a), to give the first eluting enantiomer of the title compound.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e9663efd4bb04a388aa594b2018d77ef
来源数据集: uspto-grants-2010_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07816522B2
来源说明: uspto-grants-2010_10

反应 SMILES

[C:1]([C:4]1[CH:9]=[CH:8][C:7]([NH:10][C@@H:11]([C:26]2[CH:35]=[C:34]([O:36][CH3:37])[C:29]3[O:30][CH2:31][CH2:32][O:33][C:28]=3[C:27]=2[F:38])[C:12]2[NH:16][C:15](=[O:17])[N:14]([C:18]3[CH:22]=[CH:21][S:20][C:19]=3[C:23]([OH:25])=[O:24])[N:13]=2)=[CH:6][CH:5]=1)(=[NH:3])[NH2:2].[F:39]C1C=C(N)C=CC=1C#N.NC1C=CC(C#N)=CC=1>>[C:1]([C:4]1[CH:5]=[CH:6][C:7]([NH:10][C@@H:11]([C:26]2[CH:35]=[C:34]([O:36][CH3:37])[C:29]3[O:30][CH2:31][CH2:32][O:33][C:28]=3[C:27]=2[F:38])[C:12]2[NH:16][C:15](=[O:17])[N:14]([C:18]3[CH:22]=[CH:21][S:20][C:19]=3[C:23]([OH:25])=[O:24])[N:13]=2)=[CH:8][C:9]=1[F:39])(=[NH:2])[NH2:3]