HRID120804

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：O=C(CNC(=O)c1cccc(C(F)(F)F)c1)NC1CNC1

HCID59361594

未命名化合物

HCID59541831

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C2CCC(N3CC(NC(=O)CNC(=O)c4cccc(C(F)(F)F)c4)C3)CC2)c[nH]c1=O

HCID46946261

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-38a99d537ad645f78cff9b1e2328281e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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