HRID889477

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3155252

3-methoxy-5-(5-methyl-1h-tetrazol-1-yl)aniline

C9H11N5O

结构：COc1ccc(CN(c2cccc(C(=O)NCCN(C)C)c2)c2cc(Cl)nn3c(C#N)cnc23)cc1

HCID59313763

未命名化合物

PRODUCTS

生成物

结构：COc1cc(Nc2cc(Nc3cccc(C(=O)NCCN(C)C)c3)c3ncc(C#N)n3n2)cc(-n2nnnc2C)c1

HCID59313841

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID887

Methanol

CH4O

PROCEDURE

实验过程

Example 255 was prepared from 253D and 3-methoxy-5-(5-methyl-1H-tetrazol-1-yl)aniline following the procedure as described in Example 6. HPLC: Rt=3.11 min. (YMC S5 ODS 4.6×50 mm, 10-90% aqueous methanol containing 0.2% H3PO4, 4 min. gradient, monitored at 220 nm). MS (ES): m/z=512.2 [M+H]+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d008396e36c479e9ce42b5cf3d4b37b
来源数据集: uspto-grants-2012_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08252795B2
来源说明: uspto-grants-2012_08

反应 SMILES

Cl[C:2]1[CH:3]=[C:4]([N:13](CC2C=CC(OC)=CC=2)[C:14]2[CH:15]=[C:16]([CH:25]=[CH:26][CH:27]=2)[C:17]([NH:19][CH2:20][CH2:21][N:22]([CH3:24])[CH3:23])=[O:18])[C:5]2[N:6]([C:8]([C:11]#[N:12])=[CH:9][N:10]=2)[N:7]=1.[CH3:37][O:38][C:39]1[CH:40]=[C:41]([CH:43]=[C:44]([N:46]2[C:50]([CH3:51])=[N:49][N:48]=[N:47]2)[CH:45]=1)[NH2:42]>CO>[C:11]([C:8]1[N:6]2[N:7]=[C:2]([NH:42][C:41]3[CH:43]=[C:44]([N:46]4[C:50]([CH3:51])=[N:49][N:48]=[N:47]4)[CH:45]=[C:39]([O:38][CH3:37])[CH:40]=3)[CH:3]=[C:4]([NH:13][C:14]3[CH:15]=[C:16]([CH:25]=[CH:26][CH:27]=3)[C:17]([NH:19][CH2:20][CH2:21][N:22]([CH3:24])[CH3:23])=[O:18])[C:5]2=[N:10][CH:9]=1)#[N:12]