HRID1633861

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8471

Triethylamine

C6H15N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2723939

1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride

C8H18ClN3

HCID11401058

N-METHYL-1-(1-METHYL-1H-INDOL-2-YL)-METHANAMINE

C11H14N2

反应SMILES：CC(C)(C)OC(=O)c1ccc2c(c1)CN(Cc1ccccc1)C(=O)[C@@H](CO)N2

HCID54251532

未命名化合物

PRODUCTS

产物

反应SMILES：CN(Cc1cc2ccccc2n1C)C(=O)c1ccc2c(c1)CN(Cc1ccccc1)C(=O)[C@@H](CO)N2

HCID54319432

未命名化合物

收率 83%

PROCEDURE

实验过程

According to the procedure of Example 8, except using tert-butyl (2R)-4-benzyl-2-hydroxymethyl-3-oxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine-7-carboxylate (0.39 g, 1.0 mmole), 1-methyl-2-(methylaminomethyl)indole (0.18 g, 1.1 mmole), Et3N (0.31 mL, 2.2 mmole), HOBt.H2O (0.15 g, 1.1 mmole), and EDC.HCl (0.21 g, 1.1 mmole), the title compound (0.40 g, 83%) was prepared as an off-white solid following flash chromatography on silica gel (gradient: 1-3% MeOH/CHCl3): MS (ES) m/e 483.2 (M+H)+.

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-8e2097510c364f5ab6c98275205bcc92
来源数据集: uspto-grants-2003_01
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US06503903B1
来源说明: uspto-grants-2003_01

反应SMILES

[CH2:1]([N:8]1[CH2:14][C:13]2[CH:15]=[C:16]([C:19]([O:21]C(C)(C)C)=O)[CH:17]=[CH:18][C:12]=2[NH:11][C@H:10]([CH2:26][OH:27])[C:9]1=[O:28])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH3:29][N:30]1[C:38]2[C:33](=[CH:34][CH:35]=[CH:36][CH:37]=2)[CH:32]=[C:31]1[CH2:39][NH:40][CH3:41].CCN(CC)CC.C1C=CC2N(O)N=NC=2C=1.O.CCN=C=NCCCN(C)C.Cl>>[CH2:1]([N:8]1[CH2:14][C:13]2[CH:15]=[C:16]([C:19]([N:40]([CH3:41])[CH2:39][C:31]3[N:30]([CH3:29])[C:38]4[C:33]([CH:32]=3)=[CH:34][CH:35]=[CH:36][CH:37]=4)=[O:21])[CH:17]=[CH:18][C:12]=2[NH:11][C@H:10]([CH2:26][OH:27])[C:9]1=[O:28])[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1