HRID1367902

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

结构：CN(C)C(On1nnc2ccccc21)=[N+](C)C.F[P-](F)(F)(F)(F)F

HCID2733084

Methanaminium, N-[(1H-benzotriazol-1-yloxy)(dimethylamino)methylene]-N-methyl-, hexafluorophosphate(1-) (1:1)

C11H16F6N5OP

HCID66940461

未命名化合物

HCID178508178

未命名化合物

PRODUCTS

生成物

结构：CSCCc1nc(C(=O)Nc2nc3c(C(=O)Nc4ncc[nH]4)cccc3[nH]2)cc2ccccc12

HCID58026566

未命名化合物

收率 67.1%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6228

N,N-Dimethylformamide

C3H7NO

PROCEDURE

实验过程

42.4 mg (0.171 mmol) of 1-(2-methylsulfanyl-ethyl)-isoquinoline-3-carboxylic acid was reacted with 34 mg (0.14 mmol) of intermediate B (2-amino-3H-benzoimidazole-4-carboxylic acid (1H-imidazol-2-yl)-amide), 114 mg (0.3 mmol) of HBTU and 0.106 mL (0.6 mmol) of DIEA in 0.8 mL of DMF stirring at 85° C. for 3 h according to the general procedure A. 44.3 mg (55%) of 1-(2-methylsulfanyl-ethyl)-isoquinoline-3-carboxylic acid [4-(1H-imidazol-2-ylcarbamoyl)-1H-benzoimidazol-2-yl]-amide was obtained. LCMS: 472 (M+1)+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c1ea8e23d35f4b16af23325aeaf75a83
来源数据集: uspto-grants-2011_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07893267B2
来源说明: uspto-grants-2011_02

反应 SMILES

[CH3:1][S:2][CH2:3][CH2:4][C:5]1[C:14]2[C:9](=[CH:10][CH:11]=[CH:12][CH:13]=2)[CH:8]=[C:7]([C:15]([OH:17])=O)[N:6]=1.[NH:18]1[CH:22]=[CH:21][N:20]=[C:19]1[NH:23][C:24]([C:26]1[C:34]2[NH:33][C:32]([NH2:35])=[N:31][C:30]=2[CH:29]=[CH:28][CH:27]=1)=[O:25].CN(C(ON1N=NC2C=CC=CC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CCN(C(C)C)C(C)C>CN(C=O)C>[NH:20]1[CH:21]=[CH:22][N:18]=[C:19]1[NH:23][C:24]([C:26]1[C:34]2[N:33]=[C:32]([NH:35][C:15]([C:7]3[N:6]=[C:5]([CH2:4][CH2:3][S:2][CH3:1])[C:14]4[C:9]([CH:8]=3)=[CH:10][CH:11]=[CH:12][CH:13]=4)=[O:17])[NH:31][C:30]=2[CH:29]=[CH:28][CH:27]=1)=[O:25]