HRID1752758

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5223213

5-isocyanato-1,3-benzodioxole

C8H5NO3

结构：CCOC(=O)c1cnc2c(OC)cccc2c1NC1CCN(C(=O)OC(C)(C)C)CC1

HCID67249578

未命名化合物

PRODUCTS

生成物

结构：COc1cccc2c1ncc1c(=O)n(-c3ccc4c(c3)OCO4)c(=O)n(C3CCN(C(=O)OC(C)(C)C)CC3)c12

HCID58329465

未命名化合物

收率 64.9%

PROCEDURE

实验过程

4-(3-Benzo[1,3]dioxol-5-yl-7-methoxy-2,4-dioxo-3,4-dihydro-2H-pyrimido[5,4-c]quinolin-1-yl)-piperidine-1-carboxylic acid tert-butyl ester (110 mg) was prepared from 4-(1-tert-butoxycarbonyl-piperidin-4-ylamino)-8-methoxy-quinoline-3-carboxylic acid ethyl ester (0.31 mmol) and 5-isocyanato-benzo[1,3]dioxole (0.465 mmol) following general procedure C. LCMS: m/z 547 [M+1]+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5d4c71a69bd0450da37e04b1a157fe3a
来源数据集: uspto-grants-2015_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09163022B2
来源说明: uspto-grants-2015_10

反应 SMILES

C([O:3][C:4]([C:6]1[CH:7]=[N:8][C:9]2[C:14]([C:15]=1[NH:16][CH:17]1[CH2:22][CH2:21][N:20]([C:23]([O:25][C:26]([CH3:29])([CH3:28])[CH3:27])=[O:24])[CH2:19][CH2:18]1)=[CH:13][CH:12]=[CH:11][C:10]=2[O:30][CH3:31])=O)C.[N:32]([C:35]1[CH:43]=[CH:42][C:38]2[O:39][CH2:40][O:41][C:37]=2[CH:36]=1)=[C:33]=[O:34]>>[C:26]([O:25][C:23]([N:20]1[CH2:19][CH2:18][CH:17]([N:16]2[C:15]3[C:14]4[CH:13]=[CH:12][CH:11]=[C:10]([O:30][CH3:31])[C:9]=4[N:8]=[CH:7][C:6]=3[C:4](=[O:3])[N:32]([C:35]3[CH:43]=[CH:42][C:38]4[O:39][CH2:40][O:41][C:37]=4[CH:36]=3)[C:33]2=[O:34])[CH2:22][CH2:21]1)=[O:24])([CH3:29])([CH3:28])[CH3:27]