HRID189950

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID7020927

5-(Aminomethyl)-2-chloropyridine

C6H7ClN2

结构：Fc1ccc(Nc2nc(Cl)nc(NN=Cc3ccc(OC(F)(F)F)cc3)n2)cc1C(F)(F)F

HCID76550911

未命名化合物

PRODUCTS

生成物

结构：Fc1ccc(Nc2nc(NCc3ccc(Cl)nc3)nc(NN=Cc3ccc(OC(F)(F)F)cc3)n2)cc1C(F)(F)F

HCID74437664

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-73c489c3d7104007930aa764752e07b1
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

[CH:34]([N:35]([CH:36]([CH3:37])[CH3:38])[CH2:39][CH3:40])([CH3:41])[CH3:42].[Cl:1][c:2]1[n:3][c:4]([NH:22][c:23]2[cH:24][c:25]([C:30]([F:31])([F:32])[F:33])[c:26]([F:29])[cH:27][cH:28]2)[n:5][c:6]([NH:8][N:9]=[CH:10][c:11]2[cH:12][cH:13][c:14]([O:17][C:18]([F:19])([F:20])[F:21])[cH:15][cH:16]2)[n:7]1.[NH2:43][CH2:44][c:45]1[cH:46][n:47][c:48]([Cl:51])[cH:49][cH:50]1.[O:52]1[CH2:53][CH2:54][O:55][CH2:56][CH2:57]1>>[c:2]1([NH:43][CH2:44][c:45]2[cH:46][n:47][c:48]([Cl:51])[cH:49][cH:50]2)[n:3][c:4]([NH:22][c:23]2[cH:24][c:25]([C:30]([F:31])([F:32])[F:33])[c:26]([F:29])[cH:27][cH:28]2)[n:5][c:6]([NH:8][N:9]=[CH:10][c:11]2[cH:12][cH:13][c:14]([O:17][C:18]([F:19])([F:20])[F:21])[cH:15][cH:16]2)[n:7]1