HRID301724

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCN(C)C1CCC(c2ccc(N)c3c2CN(C)C3=O)CC1

HCID67255789

未命名化合物

结构：CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Cl)n2)c(OC)c1)OCC

HCID86654002

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(C4CCC(N(C)CC)CC4)c4c3C(=O)N(C)C4)n2)c(OC)c1)OCC

HCID58293054

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-85a70f08becc4f79836d4bcc63f30fcf
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][P:4]([O:5][CH2:6][CH3:7])(=[O:8])[CH2:9][c:10]1[cH:11][c:12]([O:28][CH3:29])[c:13]([NH:16][c:17]2[n:18][cH:19][c:20]([C:24]([F:25])([F:26])[F:27])[c:21]([Cl:23])[n:22]2)[cH:14][cH:15]1.[NH2:30][c:31]1[cH:32][cH:33][c:34]([CH:42]2[CH2:43][CH2:44][CH:45]([N:48]([CH3:49])[CH2:50][CH3:51])[CH2:46][CH2:47]2)[c:35]2[c:39]1[C:38](=[O:40])[N:37]([CH3:41])[CH2:36]2>>[CH2:1]([CH3:2])[O:3][P:4]([O:5][CH2:6][CH3:7])(=[O:8])[CH2:9][c:10]1[cH:11][c:12]([O:28][CH3:29])[c:13]([NH:16][c:17]2[n:18][cH:19][c:20]([C:24]([F:25])([F:26])[F:27])[c:21]([NH:30][c:31]3[cH:32][cH:33][c:34]([CH:42]4[CH2:43][CH2:44][CH:45]([N:48]([CH3:49])[CH2:50][CH3:51])[CH2:46][CH2:47]4)[c:35]4[c:39]3[C:38](=[O:40])[N:37]([CH3:41])[CH2:36]4)[n:22]2)[cH:14][cH:15]1