HRID1130559

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3016109

Methyl 2-(4-aminophenyl)propanoate

C10H13NO2

结构：COc1ccc(C)cc1S(=O)(=O)N1CCCc2ccc(C(=O)O)cc21

HCID68433807

1-(2-Methoxy-5-methyl-benzenesulfonyl)-1,2,3,4-tetrahydro-quinoline-7-carboxylic acid

C18H19NO5S

PRODUCTS

生成物

结构：COC(=O)C(C)c1ccc(NC(=O)c2ccc3c(c2)N(S(=O)(=O)c2cc(C)ccc2OC)CCC3)cc1

HCID68511855

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2fe200abb9a84ac6b4d72807e0aba0cc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:14][O:15][c:16]1[c:17]([S:23](=[O:24])(=[O:25])[N:26]2[CH2:27][CH2:28][CH2:29][c:30]3[cH:31][cH:32][c:33]([C:36](=[O:37])[OH:38])[cH:34][c:35]32)[cH:18][c:19]([CH3:22])[cH:20][cH:21]1.[CH3:1][O:2][C:3]([CH:4]([CH3:5])[c:6]1[cH:7][cH:8][c:9]([NH2:12])[cH:10][cH:11]1)=[O:13]>>[CH3:1][O:2][C:3]([CH:4]([CH3:5])[c:6]1[cH:7][cH:8][c:9]([NH:12][C:36]([c:33]2[cH:32][cH:31][c:30]3[c:35]([cH:34]2)[N:26]([S:23]([c:17]2[c:16]([O:15][CH3:14])[cH:21][cH:20][c:19]([CH3:22])[cH:18]2)(=[O:24])=[O:25])[CH2:27][CH2:28][CH2:29]3)=[O:37])[cH:10][cH:11]1)=[O:13]