HRID1144851

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID67257082

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(O)CC4)nc3C(=O)NC)n2)c(OC)c1)OCC

HCID58292880

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b3bdfdec4c49483a8e09cec6a77764fc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

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[c:32]([C:44](=[O:45])[NH:46][CH3:47])[n:33][c:34]([CH:37]2[CH2:38][CH2:39][CH:40]([OH:43])[CH2:41][CH2:42]2)[cH:35][cH:36]1.[OH2:48]>>[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[c:32]([C:44](=[O:45])[NH:46][CH3:47])[n:33][c:34]([CH:37]4[CH2:38][CH2:39][CH:40]([OH:43])[CH2:41][CH2:42]4)[cH:35][cH:36]3)[n:22]2)[cH:14][cH:15]1