HRID1660788

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID24721080

Ethyl 4-amino-2-methylbenzoate

C10H13NO2

结构：COc1ccc(Cl)cc1S(=O)(=O)N1CCOc2ccc(C(=O)Nc3ccc(C(=O)O)c(C)c3)cc21

HCID24762473

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)N(S(=O)(=O)c2cc(Cl)ccc2OC)CCO3)cc1C

HCID66788782

未命名化合物

PROCEDURE

实验过程

4-{[4-(5-Chloro-2-methoxy-benzenesulfonyl)-3,4-dihydro-2H-benzo[1,4]oxazine-6-carbonyl]-amino}-2-methyl-benzoic acid, MS (ISP): m/e=515.0 (M−H), was prepared as described in example 1, steps 1 to 6. Step 5 was performed using 4-amino-2-methyl-benzoic acid ethyl ester and yielded 4-{[4-(5-chloro-2-methoxy-benzenesulfonyl)-3,4-dihydro-2H-benzo[1,4]oxazine-6-carbonyl]-amino}-2-methyl-benzoic acid ethyl ester, which was hydrolyzed in step 6.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-643829f7e0e7432995bac517701865a0
来源数据集: uspto-grants-2011_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08030308B2
来源说明: uspto-grants-2011_10

反应 SMILES

[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([O:34][CH3:35])=[C:6]([S:8]([N:11]2[C:16]3[CH:17]=[C:18]([C:21]([NH:23][C:24]4[CH:32]=[CH:31][C:27]([C:28]([OH:30])=[O:29])=[C:26]([CH3:33])[CH:25]=4)=[O:22])[CH:19]=[CH:20][C:15]=3[O:14][CH2:13][CH2:12]2)(=[O:10])=[O:9])[CH:7]=1.[CH2:36](OC(=O)C1C=CC(N)=CC=1C)[CH3:37]>>[CH2:36]([O:29][C:28](=[O:30])[C:27]1[CH:31]=[CH:32][C:24]([NH:23][C:21]([C:18]2[CH:19]=[CH:20][C:15]3[O:14][CH2:13][CH2:12][N:11]([S:8]([C:6]4[CH:7]=[C:2]([Cl:1])[CH:3]=[CH:4][C:5]=4[O:34][CH3:35])(=[O:10])=[O:9])[C:16]=3[CH:17]=2)=[O:22])=[CH:25][C:26]=1[CH3:33])[CH3:37]