HRID1729789

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：C=CCSc1cc(C(=O)O)cc(N)c1C(=O)c1ccccc1

HCID12408787

3-Amino-4-benzoyl-5-[(prop-2-en-1-yl)sulfanyl]benzoic acid

C17H15NO3S

结构：Nc1cc(C(=O)O)cc(OCc2ccccc2)c1C(=O)c1ccccc1

HCID12409655

未命名化合物

结构：Nc1cc(C(O)=S)cc(Cc2ccccc2)c1C(=O)c1ccccc1

HCID178507795

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Nc1cc(C(=O)O)cc(OCc2ccccc2)c1C(=O)c1ccccc1

HCID12409660

未命名化合物

结构：C=CCSc1cc(C(=O)O)cc(NC(C)=O)c1C(=O)c1ccccc1

HCID21501395

未命名化合物

结构：CC(=O)Nc1cc(C(O)=S)cc(Cc2ccccc2)c1C(=O)c1ccccc1

HCID178474277

未命名化合物

PROCEDURE

实验过程

By following the procedure described in Example 13, but replacing the 5-amino-4-benzoyl-3-n-butoxybenzoic acid with 5-amino-4-benzoyl-3-benzyloxybenzoic acid, 5-amino-4-benzoyl-3-benzylthiobenzoic acid, 3-allylthio-5-amino-4-benzoylbenzoic acid and 5-amino-4-benzoyl-3-(2-phenethyl)- benzoic acid respectively, 5-acetamido-4-benzoyl-3-benzyloxybenzoic acid, 5-acetamido-4-benzoyl-3-benzylthiobenzoic acid, 5-acetamido-3-allylthio-4-benzoylbenzoic acid and 5-acetamido-4-benzoyl-3-(2-phenethyl) benzoic acid are obtained with melting points of 222.5°-223.5° C, 197.5°-198.5° C, 210°-211° C and 183°-184° C respectively.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b080e657306490181e7ea5eff310309
来源数据集: uspto-grants-1976_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US03989745
来源说明: uspto-grants-1976_11

反应 SMILES

[NH2:1][C:2]1[C:3]([C:19](=[O:26])[C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=2)=[C:4]([O:11][CH2:12][C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)[CH:5]=[C:6]([CH:10]=1)[C:7]([OH:9])=[O:8].[NH2:27][C:28]1[C:29]([C:44](=[O:51])[C:45]2[CH:50]=[CH:49][CH:48]=[CH:47][CH:46]=2)=[C:30]([CH2:37][C:38]2[CH:43]=[CH:42][CH:41]=[CH:40][CH:39]=2)[CH:31]=[C:32]([CH:36]=1)[C:33]([OH:35])=[S:34].[CH2:52]([S:55][C:56]1[CH:57]=[C:58]([CH:62]=[C:63]([NH2:73])[C:64]=1[C:65](=[O:72])[C:66]1[CH:71]=[CH:70][CH:69]=[CH:68][CH:67]=1)[C:59]([OH:61])=[O:60])[CH:53]=[CH2:54]>>[C:33]([NH:1][C:2]1[C:3]([C:19](=[O:26])[C:20]2[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=2)=[C:4]([O:11][CH2:12][C:13]2[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=2)[CH:5]=[C:6]([CH:10]=1)[C:7]([OH:9])=[O:8])(=[O:35])[CH3:32].[C:59]([NH:27][C:28]1[C:29]([C:44](=[O:51])[C:45]2[CH:46]=[CH:47][CH:48]=[CH:49][CH:50]=2)=[C:30]([CH2:37][C:38]2[CH:43]=[CH:42][CH:41]=[CH:40][CH:39]=2)[CH:31]=[C:32]([CH:36]=1)[C:33]([OH:35])=[S:34])(=[O:60])[CH3:58].[C:7]([NH:73][C:63]1[C:64]([C:65](=[O:72])[C:66]2[CH:71]=[CH:70][CH:69]=[CH:68][CH:67]=2)=[C:56]([S:55][CH2:52][CH:53]=[CH2:54])[CH:57]=[C:58]([CH:62]=1)[C:59]([OH:61])=[O:60])(=[O:8])[CH3:6]