HRID2162273

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID145424

3,5-Difluorophenylacetic acid

C8H6F2O2

结构：COC(=O)C1(Cc2ccccc2)CN(C(=O)OC(C)(C)C)C(C(C)N)=N1

HCID22592461

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1(Cc2ccccc2)CN(C(=O)OC(C)(C)C)C(C(C)NC(=O)Cc2cc(F)cc(F)c2)=N1

HCID10391797

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0841a09bf91f4a4eb5187bd1aaac7e48
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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