HRID470681

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2795424

1-Methyl-5-aminomethylimidazole

C5H9N3

结构：CC1(C)CCC2(CC1)N[C@@H](C(=O)O)[C@H](c1ccnc(Cl)c1F)C21C(=O)Nc2cc(Cl)ccc21

HCID86672588

未命名化合物

PRODUCTS

生成物

结构：Cn1cncc1CNC(=O)[C@@H]1NC2(CCC(C)(C)CC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1ccnc(Cl)c1F

HCID86672594

未命名化合物

收率 41%

PROCEDURE

实验过程

The compound (400 mg, 0.81 mmol) obtained in Step 1 of Example 17 and 1-(1-methyl-1H-imidazole-5-yl)methanamine (95 mg, 0.98 mmol) were used as starting materials and treated in the same way as in Step 2 of Example 12 to give 188 mg (41%) of the title compound as a solid.

WORKUP

后处理

additiontreated in the same way as in Step 2 of Example 12

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e380f1c067b4485a47fab1727ac7092
来源数据集: uspto-grants-2014_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08629133B2
来源说明: uspto-grants-2014_01

反应 SMILES

[Cl:1][C:2]1[CH:10]=[C:9]2[C:5]([C:6]3([C@@H:15]([C:16]4[CH:21]=[CH:20][N:19]=[C:18]([Cl:22])[C:17]=4[F:23])[C@H:14]([C:24]([OH:26])=O)[NH:13][C:12]43[CH2:31][CH2:30][C:29]([CH3:33])([CH3:32])[CH2:28][CH2:27]4)[C:7](=[O:11])[NH:8]2)=[CH:4][CH:3]=1.[CH3:34][N:35]1[C:39]([CH2:40][NH2:41])=[CH:38][N:37]=[CH:36]1>>[Cl:1][C:2]1[CH:10]=[C:9]2[C:5]([C@@:6]3([C@@H:15]([C:16]4[CH:21]=[CH:20][N:19]=[C:18]([Cl:22])[C:17]=4[F:23])[C@H:14]([C:24]([NH:41][CH2:40][C:39]4[N:35]([CH3:34])[CH:36]=[N:37][CH:38]=4)=[O:26])[NH:13][C:12]43[CH2:31][CH2:30][C:29]([CH3:32])([CH3:33])[CH2:28][CH2:27]4)[C:7](=[O:11])[NH:8]2)=[CH:4][CH:3]=1