HRID420078

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：C=C[C@@H]1C[C@]1(NC(=O)n1ccnc1)C(=O)OCC

HCID57816680

未命名化合物

结构：C=CCCCCN(C)C(=O)[C@@H]1C[C@H](Oc2cc(-n3ccc(C(F)(F)F)n3)nc3c(Cl)c(OC)ccc23)CN1

HCID57816693

未命名化合物

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

HCID66650543

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)N[C@]1(C(=O)OCC)C[C@H]1C=C

HCID57816697

未命名化合物

收率 75%

PROCEDURE

实验过程

Compound 116 was synthesized from compounds 33 and 115 as a white solid in 75% yield, following the procedure as described for compound 50.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-83132dd794984e6ead5c7896b0e2dbe1
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

N1([C:6]([NH:8][C@:9]2([C:14]([O:16][CH2:17][CH3:18])=[O:15])[CH2:11][C@H:10]2[CH:12]=[CH2:13])=[O:7])C=CN=C1.[Cl:19][C:20]1[C:21]([O:55][CH3:56])=[CH:22][CH:23]=[C:24]2[C:29]=1[N:28]=[C:27]([N:30]1[CH:34]=[CH:33][C:32]([C:35]([F:38])([F:37])[F:36])=[N:31]1)[CH:26]=[C:25]2[O:39][C@@H:40]1[CH2:44][NH:43][C@H:42]([C:45]([N:47]([CH2:49][CH2:50][CH2:51][CH2:52][CH:53]=[CH2:54])[CH3:48])=[O:46])[CH2:41]1.C(OC([C@@]1(NC(N2C[C@H](O)C[C@H]2C(=O)N(CCCCC=C)C)=O)C[C@@H]1C=C)=O)C>>[Cl:19][C:20]1[C:21]([O:55][CH3:56])=[CH:22][CH:23]=[C:24]2[C:29]=1[N:28]=[C:27]([N:30]1[CH:34]=[CH:33][C:32]([C:35]([F:36])([F:37])[F:38])=[N:31]1)[CH:26]=[C:25]2[O:39][C@@H:40]1[CH2:44][N:43]([C:6]([NH:8][C@:9]2([C:14]([O:16][CH2:17][CH3:18])=[O:15])[CH2:11][C@H:10]2[CH:12]=[CH2:13])=[O:7])[C@H:42]([C:45](=[O:46])[N:47]([CH2:49][CH2:50][CH2:51][CH2:52][CH:53]=[CH2:54])[CH3:48])[CH2:41]1