HRID420076

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID46737741

4-Methylbenzene-1-sulfonic acid--N-methylhex-5-en-1-amine (1/1)

C14H23NO3S

结构：C=CCCCCN(C)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C

HCID57816706

未命名化合物

结构：COc1ccc2c(O[C@H]3C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C3)cc(-n3ccc(C(F)(F)F)n3)nc2c1Cl

HCID57816711

未命名化合物

PRODUCTS

生成物

结构：C=CCCCCN(C)C(=O)[C@@H]1C[C@H](Oc2cc(-n3ccc(C(F)(F)F)n3)nc3c(Cl)c(OC)ccc23)CN1C(=O)OC(C)(C)C

HCID57816700

未命名化合物

收率 87%

PROCEDURE

实验过程

Compound 114 was synthesized from compounds 32a and 113 as white foam in 87% yield, following the procedure as described for compound 48.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f4c9ea4e95d14be785a6da29a6dfddbe
来源数据集: uspto-grants-2012_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08093379B2
来源说明: uspto-grants-2012_01

反应 SMILES

S(C1C=CC(C)=CC=1)(O)(=O)=O.[CH3:12][NH:13][CH2:14][CH2:15][CH2:16][CH2:17][CH:18]=[CH2:19].[C:20]([O:24][C:25]([N:27]1[CH2:31][C@@H:30]([O:32][C:33]2[C:42]3[C:37](=[C:38]([Cl:45])[C:39]([O:43][CH3:44])=[CH:40][CH:41]=3)[N:36]=[C:35]([N:46]3[CH:50]=[CH:49][C:48]([C:51]([F:54])([F:53])[F:52])=[N:47]3)[CH:34]=2)[CH2:29][C@H:28]1[C:55](O)=[O:56])=[O:26])([CH3:23])([CH3:22])[CH3:21].C(N(C)C([C@@H]1C[C@@H](O)CN1C(OC(C)(C)C)=O)=O)CCCC=C>>[Cl:45][C:38]1[C:39]([O:43][CH3:44])=[CH:40][CH:41]=[C:42]2[C:37]=1[N:36]=[C:35]([N:46]1[CH:50]=[CH:49][C:48]([C:51]([F:54])([F:53])[F:52])=[N:47]1)[CH:34]=[C:33]2[O:32][C@@H:30]1[CH2:31][N:27]([C:25]([O:24][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:26])[C@H:28]([C:55](=[O:56])[N:13]([CH2:14][CH2:15][CH2:16][CH2:17][CH:18]=[CH2:19])[CH3:12])[CH2:29]1