HRID1920547

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2735681

4-butyl-1-isocyanato-2-methylbenzene

C12H15NO

结构：O=C(NCCC[N+]12CCC(CC1)[C@@H](OC(=O)C(O)(c1ccccc1)c1ccccc1)C2)Nc1ccccc1.O=C([O-])C(F)(F)F

HCID67497255

未命名化合物

PRODUCTS

生成物

结构：CCCCc1ccc(NC(=O)NCCC[N+]23CCC(CC2)[C@@H](OC(=O)C(O)(c2ccccc2)c2ccccc2)C3)c(C)c1.O=C([O-])C(F)(F)F

HCID67497054

未命名化合物

PROCEDURE

实验过程

This compound is made via an analogous procedure to (R)-3-(2-Hydroxy-2,2-diphenyl-acetoxy)-1-[3-(3-phenyl-ureido)-propyl]-1-azonia-bicyclo[2.2.2]octane trifluoroacetate (Example 47) by replacing phenyl isocyanate with 4-butyl-1-isocyanato-2-methyl-benzene.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68cd66e1d5f2437a98da8f558f2191cc
来源数据集: uspto-grants-2012_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08168654B2
来源说明: uspto-grants-2012_05

反应 SMILES

[F:1][C:2]([F:7])([F:6])[C:3]([O-:5])=[O:4].[OH:8][C:9]([C:40]1[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=1)([C:34]1[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=1)[C:10]([O:12][C@@H:13]1[CH:18]2[CH2:19][CH2:20][N+:15]([CH2:21][CH2:22][CH2:23][NH:24]C(NC3C=CC=CC=3)=O)([CH2:16][CH2:17]2)[CH2:14]1)=[O:11].[CH2:46]([C:50]1[CH:55]=[CH:54][C:53]([N:56]=[C:57]=[O:58])=[C:52]([CH3:59])[CH:51]=1)[CH2:47][CH2:48][CH3:49]>>[F:1][C:2]([F:7])([F:6])[C:3]([O-:5])=[O:4].[CH2:46]([C:50]1[CH:55]=[CH:54][C:53]([NH:56][C:57](=[O:58])[NH:24][CH2:23][CH2:22][CH2:21][N+:15]23[CH2:16][CH2:17][CH:18]([CH2:19][CH2:20]2)[C@@H:13]([O:12][C:10](=[O:11])[C:9]([OH:8])([C:40]2[CH:41]=[CH:42][CH:43]=[CH:44][CH:45]=2)[C:34]2[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=2)[CH2:14]3)=[C:52]([CH3:59])[CH:51]=1)[CH2:47][CH2:48][CH3:49]