HRID108640

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3664841

未命名化合物

HCID11573492

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncnc(Nc3cccc(Cl)c3F)c2cc1CNC(CNC(=O)OC(C)(C)C)C(=O)O

HCID178486852

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-616ccbcc06584560aead93ec2e18a645
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

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