HRID420080

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID69828

Cyclopropanamine

C3H7N

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)O)C[C@H]1C=C

HCID57816664

未命名化合物

HCID86633209

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)NS(=O)(=O)C2CC2)C[C@H]1C=C

HCID57816701

未命名化合物

收率 40%

PROCEDURE

实验过程

Compound 118 was synthesized from compound 117 and cyclopropylamine as a white solid in 40% yield, following the procedure as described for compound 56c.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8a09aaa1d96b48b69fe8bf7368470d2f
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

[Cl:1][C:2]1[C:3]([O:48][CH3:49])=[CH:4][CH:5]=[C:6]2[C:11]=1[N:10]=[C:9]([N:12]1[CH:16]=[CH:15][C:14]([C:17]([F:20])([F:19])[F:18])=[N:13]1)[CH:8]=[C:7]2[O:21][C@@H:22]1[CH2:26][N:25]([C:27]([NH:29][C@:30]2(C(O)=O)[CH2:32][C@H:31]2[CH:33]=[CH2:34])=[O:28])[C@H:24]([C:38](=[O:47])[N:39]([CH2:41][CH2:42][CH2:43][CH2:44][CH:45]=[CH2:46])[CH3:40])[CH2:23]1.C1(N)CC1.[C:54](=[N:56][S:57]([C:60]1(C)[CH2:62][CH2:61]1)(=[O:59])=[O:58])=[O:55]>>[Cl:1][C:2]1[C:3]([O:48][CH3:49])=[CH:4][CH:5]=[C:6]2[C:11]=1[N:10]=[C:9]([N:12]1[CH:16]=[CH:15][C:14]([C:17]([F:19])([F:20])[F:18])=[N:13]1)[CH:8]=[C:7]2[O:21][C@@H:22]1[CH2:26][N:25]([C:27]([NH:29][C@:30]2([C:54](=[O:55])[NH:56][S:57]([CH:60]3[CH2:62][CH2:61]3)(=[O:59])=[O:58])[CH2:32][C@H:31]2[CH:33]=[CH2:34])=[O:28])[C@H:24]([C:38]([N:39]([CH2:41][CH2:42][CH2:43][CH2:44][CH:45]=[CH2:46])[CH3:40])=[O:47])[CH2:23]1