HRID2320139

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2782687

2-(4-Fluorophenyl)benzoic acid

C13H9FO2

HCID178432441

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2sccn2c1C(=O)NCC1C2CCCC2CN1C(=O)c1ccccc1-c1ccc(F)cc1

HCID178432428

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a612294c261646528ebaebedf064da8e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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