HRID311450

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

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

PRODUCTS

生成物

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

HCID54756045

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1db59b0096044aaaa784a8d7aaad1016
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

[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[CH2:7][CH2:8][CH:9]([N:12]2[CH2:13][CH:14]([NH:16][C:17]([CH2:18][NH:19][c:20]3[n:21][n:22]([C:33]([NH:34][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:39])[c:23]4[cH:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][c:28]34)=[O:40])[CH2:15]2)[CH2:10][CH2:11]1.[F:41][C:42]([F:43])([F:44])[C:45]([OH:46])=[O:47]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[CH:6]1[CH2:7][CH2:8][CH:9]([N:12]2[CH2:13][CH:14]([NH:16][C:17]([CH2:18][NH:19][c:20]3[n:21][n:22]([C:33]([NH2:34])=[O:39])[c:23]4[cH:24][cH:25][c:26]([C:29]([F:30])([F:31])[F:32])[cH:27][c:28]34)=[O:40])[CH2:15]2)[CH2:10][CH2:11]1