HRID282232

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID317638

Ethyl 4-oxocyclohexanecarboxylate

C9H14O3

结构：CC(C)(C)NC(=O)n1nc(NCC(=O)NC2CNC2)c2cc(C(F)(F)F)ccc21

HCID58548865

未命名化合物

PRODUCTS

生成物

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

HCID54756043

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-27c762b822cf42a4b99e55f2ac789e55
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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