HRID1143513

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)Nc1cc(OCC(F)(F)F)c(Cl)cc1N

HCID69486817

未命名化合物

结构：CC(C)(C)OC(=O)CC(=O)c1cccc(-c2ccnc(C#N)c2)c1

HCID69489885

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1cc(OCC(F)(F)F)c(Cl)cc1NC(=O)CC(=O)c1cccc(-c2ccnc(C#N)c2)c1

HCID86589367

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-da8e1fcf79fb477884418fb68ef77cf0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH2:21])[cH:10][c:11]([Cl:20])[c:12]([O:14][CH2:15][C:16]([F:17])([F:18])[F:19])[cH:13]1)=[O:22].[C:23]([CH3:25])([CH3:26])([O:27][C:28](=[O:24])[CH2:29][C:30](=[O:31])[c:32]1[cH:33][c:34](-[c:38]2[cH:39][c:40]([C:44]#[N:45])[n:41][cH:42][cH:43]2)[cH:35][cH:36][cH:37]1)[CH3:46]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][c:8]1[c:9]([NH:21][C:28](=[O:27])[CH2:29][C:30](=[O:31])[c:32]2[cH:33][c:34](-[c:38]3[cH:39][c:40]([C:44]#[N:45])[n:41][cH:42][cH:43]3)[cH:35][cH:36][cH:37]2)[cH:10][c:11]([Cl:20])[c:12]([O:14][CH2:15][C:16]([F:17])([F:18])[F:19])[cH:13]1)=[O:22]