HRID678654

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID317638

Ethyl 4-oxocyclohexanecarboxylate

C9H14O3

结构：O=C(CNc1nn(Cc2ccccc2)c2ccc(C(F)(F)F)cc12)NC1CNC1

HCID58548869

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C1CCC(N2CC(NC(=O)CNc3nn(Cc4ccccc4)c4ccc(C(F)(F)F)cc34)C2)CC1

HCID67478768

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae7659ce94d7424f99f54e8546c7cd64
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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