HRID201542

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID21843620

4-(2-Propen-1-yloxy)benzenemethanamine

C10H13NO

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：C=CCOc1ccc(CNc2nc(Nc3ccc(C(=O)OC)cc3)nc(OCC(F)(F)F)n2)cc1

HCID67074750

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c8d191eddf204585aecb602c39ad2fb7
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

[CH2:25]([CH:26]=[CH2:27])[O:28][c:29]1[cH:30][cH:31][c:32]([CH2:35][NH2:36])[cH:33][cH:34]1.[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH:37]([N:38]([CH2:39][CH3:40])[CH:41]([CH3:42])[CH3:43])([CH3:44])[CH3:45].[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>>[c:2]1([NH:36][CH2:35][c:32]2[cH:31][cH:30][c:29]([O:28][CH2:25][CH:26]=[CH2:27])[cH:34][cH:33]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