HRID1676070

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

反应SMILES：COC(=O)CC(c1ccccc1)n1cnc2ccc(NC(=O)Nc3ccccc3)cc21

HCID58653678

未命名化合物

PRODUCTS

产物

反应SMILES：Nc1ccccc1C(=O)Nc1ccc2ncn(C(CC(=O)O)c3ccccc3)c2c1

HCID11611040

未命名化合物

反应SMILES：O=C(O)CC(c1ccccc1)n1cnc2ccc(NC(=O)Nc3ccccc3)cc21

HCID58653683

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID313

Hydrochloric Acid

ClH

PROCEDURE

实验过程

A solution of methyl 3-{6-[(anilinocarbonyl)amino]-1H-benzimidazol-1-yl}-3-phenylpropanoate (90 mg, 210 μmol) in a mixture of hydrochloric acid (20 mL of a 5N solution) and acetonitrile (10 mL) was stirred at room temperature for 72 hours. The solution was evaporated in vacuo to afford the title compound, [LCMS (Method A, Mobile Phase II) RT=3.77 min, MH+ 401].

WORKUP

后处理

customThe solution was evaporated in vacuo

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-2b5dcf0a029042fb8b091ba3a8e4c9f2
来源数据集: uspto-grants-2011_08
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US08003806B2
来源说明: uspto-grants-2011_08

反应SMILES

[NH:1]([C:8]([NH:10][C:11]1[CH:12]=[CH:13][C:14]2[N:18]=[CH:17][N:16]([CH:19]([C:25]3[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=3)[CH2:20][C:21]([O:23]C)=[O:22])[C:15]=2[CH:31]=1)=[O:9])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[C:32](#[N:34])[CH3:33]>Cl>[NH:1]([C:8]([NH:10][C:11]1[CH:12]=[CH:13][C:14]2[N:18]=[CH:17][N:16]([CH:19]([C:25]3[CH:26]=[CH:27][CH:28]=[CH:29][CH:30]=3)[CH2:20][C:21]([OH:23])=[O:22])[C:15]=2[CH:31]=1)=[O:9])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[NH2:34][C:32]1[CH:4]=[CH:3][CH:2]=[CH:7][C:33]=1[C:8]([NH:10][C:11]1[CH:12]=[CH:13][C:14]2[N:18]=[CH:17][N:16]([CH:19]([C:25]3[CH:26]=[CH:27][CH:28]=[CH:29][CH:30]=3)[CH2:20][C:21]([OH:23])=[O:22])[C:15]=2[CH:31]=1)=[O:9]