HRID694080

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

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-ce10c39b0504449ab3fd6bc6a43c4922
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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