HRID670510

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2782687

2-(4-Fluorophenyl)benzoic acid

C13H9FO2

HCID178432442

未命名化合物

PRODUCTS

生成物

结构：Cc1nc2sccn2c1C(=O)NCC1C2CC(C)CC2CN1C(=O)c1ccccc1-c1ccc(F)cc1

HCID178432432

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4a3346456017457f84fa3b8dececdfd9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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