HRID177436

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID69592816

未命名化合物

结构：CC(C)(C)OC(=O)Nc1cc(N2CCC2)c(C(F)(F)F)cc1N

HCID69687698

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1cc(N2CCC2)c(C(F)(F)F)cc1NC(=O)CC(=O)c1ccnc(C#N)c1

HCID86586844

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c16e0007bb5a49e4966fb6651a402649
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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