HRID2124914

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(N)C(=O)NC1N=C(c2ccccc2)c2ccccc2N(C)C1=O

HCID22312097

未命名化合物

HCID22312719

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)C(F)c1cc(F)cc(F)c1)C(=O)NC1N=C(c2ccccc2)c2ccccc2N(C)C1=O

HCID178465140

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52d83093c52a45ac9b4f6ad833127ca3
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

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