HRID403748

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID17626

Benzonitrile, 4-isothiocyanato-

C8H4N2S

结构：COC(=O)[C@H](C(C)C)N1Cc2ccc(-c3ccc(NC(=S)Nc4ccccc4F)cc3)cc2C1=O

HCID53303391

未命名化合物

结构：COC(=O)[C@H](C(C)C)N1Cc2ccc(-c3ccc(N)cc3)cc2C1=O

HCID131731441

未命名化合物

PRODUCTS

生成物

结构：COC(=O)[C@H](C(C)C)N1Cc2ccc(-c3ccc(NC(=S)Nc4ccc(C#N)cc4)cc3)cc2C1=O

HCID131731455

未命名化合物

PROCEDURE

实验过程

The compound of example 67 was prepared analogous to compound of example 51 by reaction of compound of example 6 with 4-cyanophenyl isothiocyanate. The compound of example 67 was used directly without isolation for the preparation of compound of example 66.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d35a9f11eb13423aa793f31a0c6e118a
来源数据集: uspto-grants-2014_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08748426B2
来源说明: uspto-grants-2014_06

反应 SMILES

F[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[NH:8][C:9](=[S:35])[NH:10][C:11]1[CH:16]=[CH:15][C:14]([C:17]2[CH:25]=[C:24]3[C:20]([CH2:21][N:22]([C@@H:27]([CH:32]([CH3:34])[CH3:33])[C:28]([O:30][CH3:31])=[O:29])[C:23]3=[O:26])=[CH:19][CH:18]=2)=[CH:13][CH:12]=1.[NH2:36][C:37]1C=CC(C2C=C3C(CN([C@@H](C(C)C)C(OC)=O)C3=O)=CC=2)=CC=1.C(C1C=CC(N=C=S)=CC=1)#N>>[C:37]([C:6]1[CH:5]=[CH:4][C:3]([NH:8][C:9](=[S:35])[NH:10][C:11]2[CH:12]=[CH:13][C:14]([C:17]3[CH:25]=[C:24]4[C:20]([CH2:21][N:22]([C@@H:27]([CH:32]([CH3:33])[CH3:34])[C:28]([O:30][CH3:31])=[O:29])[C:23]4=[O:26])=[CH:19][CH:18]=3)=[CH:15][CH:16]=2)=[CH:2][CH:7]=1)#[N:36]