HRID1210882

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID67263452

未命名化合物

结构：CNC(=O)c1cccc(F)c1Nc1nc(Cl)ncc1C(F)(F)F

HCID86633945

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1cccc(F)c1Nc1nc(Nc2ccc3c(c2)N(CCOC)C(=O)CCC3)ncc1C(F)(F)F

HCID66830474

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b46b90b042247daa421ae5a5f29fc15
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Cl:1][c:2]1[n:3][cH:4][c:5]([C:20]([F:21])([F:22])[F:23])[c:6]([NH:8][c:9]2[c:10]([C:11](=[O:12])[NH:13][CH3:14])[cH:15][cH:16][cH:17][c:18]2[F:19])[n:7]1.[NH2:24][c:25]1[cH:26][cH:27][c:28]2[c:29]([cH:40]1)[N:30]([CH2:36][CH2:37][O:38][CH3:39])[C:31](=[O:35])[CH2:32][CH2:33][CH2:34]2>>[c:2]1([NH:24][c:25]2[cH:26][cH:27][c:28]3[c:29]([cH:40]2)[N:30]([CH2:36][CH2:37][O:38][CH3:39])[C:31](=[O:35])[CH2:32][CH2:33][CH2:34]3)[n:3][cH:4][c:5]([C:20]([F:21])([F:22])[F:23])[c:6]([NH:8][c:9]2[c:10]([C:11](=[O:12])[NH:13][CH3:14])[cH:15][cH:16][cH:17][c:18]2[F:19])[n:7]1