HRID394100

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID22507589

Benzyl 2-methylpiperazine-1-carboxylate

C13H18N2O2

结构：O=Cc1cc(-c2ccccc2Cl)c2c(c1)N(c1c(Cl)cccc1Cl)C(=O)NC2

HCID22648162

未命名化合物

PRODUCTS

生成物

结构：CC1CN(Cc2cc(-c3ccccc3Cl)c3c(c2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CCN1C(=O)OCc1ccccc1

HCID22647930

未命名化合物

PROCEDURE

实验过程

The benzyl 4-{[5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-2-oxo-1,2,3,4-tetrahydroquinazolin-7-yl]methyl}-2-methylpiperazine-1-carboxylate was prepared from 5-(2-chlorophenyl)-1-(2,6-dichlorophenyl)-2-oxo-1,2,3,4-tetrahydroquinazoline-7-carbaldehyde (INTERMEDIATE AAA1) and 1-CBz-2-methylpiperazine as described in EXAMPLE AAA1, STEP A. 1H NMR (CDCl3, 500 MHz): δ 1.08 (d, 3H, J=5.9 Hz), 2.00 (m, 1H), 2.10 (m, 1H), 2.52 (d, 1H, J=11.0 Hz), 2.70 (m, 1H), 3.06 (m, 1H), 3.26 (m, 1H), 3.46 (m, 1H), 3.86 (d, 1H, J=12.5 Hz), 4.24.5 (m, 3H), 5.05 (s, 1H), 5.14 (abq, 2H, J=12.4 Hz), 6.25 (d, 1H, J=13.3 Hz), 6.82 (s, 1H), 7.30-7.60 (m, 12H). MS (API-ES+): 651 (M+H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b16b8a2ded04c54961db3df87c5f6f8
来源数据集: uspto-grants-2004_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06809199B2
来源说明: uspto-grants-2004_10

反应 SMILES

[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[CH:17]=[C:16]([CH:18]=O)[CH:15]=[C:14]2[C:9]=1[CH2:10][NH:11][C:12](=[O:28])[N:13]2[C:20]1[C:25]([Cl:26])=[CH:24][CH:23]=[CH:22][C:21]=1[Cl:27].[C:29]([N:39]1[CH2:44][CH2:43][NH:42][CH2:41][CH:40]1[CH3:45])([O:31][CH2:32][C:33]1[CH:38]=[CH:37][CH:36]=[CH:35][CH:34]=1)=[O:30]>>[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[CH:17]=[C:16]([CH2:18][N:42]2[CH2:43][CH2:44][N:39]([C:29]([O:31][CH2:32][C:33]3[CH:34]=[CH:35][CH:36]=[CH:37][CH:38]=3)=[O:30])[CH:40]([CH3:45])[CH2:41]2)[CH:15]=[C:14]2[C:9]=1[CH2:10][NH:11][C:12](=[O:28])[N:13]2[C:20]1[C:21]([Cl:27])=[CH:22][CH:23]=[CH:24][C:25]=1[Cl:26]