HRID301408

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID594596

4-methoxyquinoline-2-carboxylic acid

C11H9NO3

结构：NCC1CC2CC2N1C(=O)c1nc(N)sc1-c1cccc(F)c1

HCID178509363

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)NCC2CC3CC3N2C(=O)c2nc(N)sc2-c2cccc(F)c2)nc2ccccc12

HCID178492688

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b33d989989314a4a91232718095577b3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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