HRID1695095

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6329

Methylamine

CH5N

结构：Nc1nc(OCc2ccc(CNC(=O)C(F)(F)F)cc2)c2nc(CCC(N)C(=O)CCCCCNC(=O)CCCC[C@@H]3SC[C@@H]4NC(=O)N[C@@H]43)[nH]c2n1

HCID178508950

未命名化合物

PRODUCTS

生成物

结构：NCc1ccc(COc2nc(N)nc3[nH]c(CCC(N)C(=O)CCCCCNC(=O)CCCC[C@@H]4SC[C@@H]5NC(=O)N[C@@H]54)nc23)cc1

HCID178509863

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID887

Methanol

CH4O

PROCEDURE

实验过程

Trifluoroacetamide 49 (Example 32, 15.1 mg, 0.019 mmol) are dissolved in 1 mL methanol, and 2 mL methylamine (33% in ethanol) are added. The reaction mixture is stirred at room temperature for 48 h and all volatiles are removed in vacuo. The product is used without further purification. MS (ESI) m/z 667.5 [M+H]+.

WORKUP

后处理

customall volatiles are removed in vacuo
customThe product is used without further purification

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6a442575b20c422eaabb803b44b96fad
来源数据集: uspto-grants-2012_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08163479B2
来源说明: uspto-grants-2012_04

反应 SMILES

[NH2:1][C:2]1[N:10]=[C:9]2[C:5]([N:6]=[C:7]([CH2:11][CH2:12][CH:13]([NH2:37])[C:14](=[O:36])[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][NH:20][C:21](=[O:35])[CH2:22][CH2:23][CH2:24][CH2:25][C@H:26]3[C@@H:34]4[C@@H:29]([NH:30][C:31]([NH:33]4)=[O:32])[CH2:28][S:27]3)[NH:8]2)=[C:4]([O:38][CH2:39][C:40]2[CH:53]=[CH:52][C:43]([CH2:44][NH:45]C(=O)C(F)(F)F)=[CH:42][CH:41]=2)[N:3]=1.CN>CO>[NH2:1][C:2]1[N:10]=[C:9]2[C:5]([N:6]=[C:7]([CH2:11][CH2:12][CH:13]([NH2:37])[C:14](=[O:36])[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][NH:20][C:21](=[O:35])[CH2:22][CH2:23][CH2:24][CH2:25][C@H:26]3[C@@H:34]4[C@@H:29]([NH:30][C:31]([NH:33]4)=[O:32])[CH2:28][S:27]3)[NH:8]2)=[C:4]([O:38][CH2:39][C:40]2[CH:41]=[CH:42][C:43]([CH2:44][NH2:45])=[CH:52][CH:53]=2)[N:3]=1