HRID209031

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3283

Diethyl Ether

C4H10O

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID97472

4-Hydroxybenzylamine

C7H9NO

结构：COC(=O)c1ccc(Nc2nc(Cl)nc(OCC(F)(F)F)n2)cc1

HCID86652469

Methyl 4-(4-chloro-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-ylamino)benzoate

C13H10ClF3N4O3

PRODUCTS

生成物

结构：COC(=O)c1ccc(Nc2nc(NCc3ccc(O)cc3)nc(OCC(F)(F)F)n2)cc1

HCID67074115

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba6dd393b04a425da2bd5b3bbd4cd113
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:52][CH2:53][O:54][CH2:55][CH3:56].[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[Cl:1][c:2]1[n:3][c:4]([NH:14][c:15]2[cH:16][cH:17][c:18]([C:19](=[O:20])[O:21][CH3:22])[cH:23][cH:24]2)[n:5][c:6]([O:8][CH2:9][C:10]([F:11])([F:12])[F:13])[n:7]1.[Cl:49][CH2:50][Cl:51].[ClH:34].[NH2:25][CH2:26][c:27]1[cH:28][cH:29][c:30]([OH:33])[cH:31][cH:32]1>>[c:2]1([NH:25][CH2:26][c:27]2[cH:28][cH:29][c:30]([OH:33])[cH:31][cH:32]2)[n:3][c:4]([NH:14][c:15]2[cH:16][cH:17][c:18]([C:19](=[O:20])[O:21][CH3:22])[cH:23][cH:24]2)[n:5][c:6]([O:8][CH2:9][C:10]([F:11])([F:12])[F:13])[n:7]1