HRID403989

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID4389663

4-isocyanato-1,2-dimethylbenzene

C9H9NO

结构：COC(=O)[C@H](C(C)C)N1Cc2ccc(-c3ccc(N)cn3)cc2C1=O

HCID131731548

未命名化合物

结构：COC(=O)[C@H](C(C)C)N1Cc2ccc(-c3ccc(NC(=O)Nc4ccccc4Cl)cn3)cc2C1=O

HCID131731549

未命名化合物

PRODUCTS

生成物

结构：COC(=O)[C@H](C(C)C)N1Cc2ccc(-c3ccc(NC(=O)Nc4ccc(C)c(C)c4)cn3)cc2C1=O

HCID131731550

未命名化合物

PROCEDURE

实验过程

The compound of example 397 was prepared analogous to the compound of example 393 by reaction of the compound of example 392 with 3,4-dimethyl phenyl isocyanate. The compound of example 397 was used directly for the preparation of compound of example 398 without purification.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b9832bbba014f1b9f3d3ef0a544dcee
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

ClC1C=CC=CC=1NC(=O)NC1C=CC(C2C=C3C(CN([C@@H](C(C)C)C(OC)=O)C3=O)=CC=2)=NC=1.[NH2:36][C:37]1[CH:38]=[CH:39][C:40]([C:43]2[CH:51]=[C:50]3[C:46]([CH2:47][N:48]([C@@H:53]([CH:58]([CH3:60])[CH3:59])[C:54]([O:56][CH3:57])=[O:55])[C:49]3=[O:52])=[CH:45][CH:44]=2)=[N:41][CH:42]=1.[CH3:61][C:62]1[CH:63]=[C:64]([N:69]=[C:70]=[O:71])[CH:65]=[CH:66][C:67]=1[CH3:68]>>[CH3:61][C:62]1[CH:63]=[C:64]([NH:69][C:70](=[O:71])[NH:36][C:37]2[CH:38]=[CH:39][C:40]([C:43]3[CH:51]=[C:50]4[C:46]([CH2:47][N:48]([C@@H:53]([CH:58]([CH3:60])[CH3:59])[C:54]([O:56][CH3:57])=[O:55])[C:49]4=[O:52])=[CH:45][CH:44]=3)=[N:41][CH:42]=2)[CH:65]=[CH:66][C:67]=1[CH3:68]