HRID1594494

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

结构：CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4NC(=O)[C@@H]4CC[C@H](c5ccccc5)N4)ncn3)cccc2s1

HCID58691316

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1nc2c(Oc3cc(-c4ccc(C(F)(F)F)cc4NC(=O)[C@@H]4CC[C@H](c5ccccc5)N4C(C)C)ncn3)cccc2s1

HCID58691324

未命名化合物

收率 78%

PROCEDURE

实验过程

(2S,5R)-N-(2-(6-(2-Acetamidobenzo[d]thiazol-4-yloxy)pyrimidin-4-yl)-5-(trifluoromethyl)phenyl)-5-phenylpyrrolidine-2-carboxamide, Example 60, (62 mg, 0.1 mmol) was reacted with acetone (0.009 mL, 0.12 mmol) under the conditions of Example 3(d) to give the title compound as a white solid (51 mg, 78%). MS (ESI, pos. ion.) m/z: 661 (M+1).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a7aaf3936ae46b0b9ac48e8e4179af5
来源数据集: uspto-grants-2007_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07301022B2
来源说明: uspto-grants-2007_11

反应 SMILES

[C:1]([NH:4][C:5]1[S:6][C:7]2[CH:13]=[CH:12][CH:11]=[C:10]([O:14][C:15]3[N:20]=[CH:19][N:18]=[C:17]([C:21]4[CH:26]=[CH:25][C:24]([C:27]([F:30])([F:29])[F:28])=[CH:23][C:22]=4[NH:31][C:32]([C@@H:34]4[CH2:38][CH2:37][C@H:36]([C:39]5[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=5)[NH:35]4)=[O:33])[CH:16]=3)[C:8]=2[N:9]=1)(=[O:3])[CH3:2].[CH3:45][C:46]([CH3:48])=O>>[C:1]([NH:4][C:5]1[S:6][C:7]2[CH:13]=[CH:12][CH:11]=[C:10]([O:14][C:15]3[N:20]=[CH:19][N:18]=[C:17]([C:21]4[CH:26]=[CH:25][C:24]([C:27]([F:28])([F:29])[F:30])=[CH:23][C:22]=4[NH:31][C:32]([C@@H:34]4[CH2:38][CH2:37][C@H:36]([C:39]5[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=5)[N:35]4[CH:46]([CH3:48])[CH3:45])=[O:33])[CH:16]=3)[C:8]=2[N:9]=1)(=[O:3])[CH3:2]