HRID1227631

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID31275

1,4-Dioxane

C4H8O2

HCID459610

4-Chloro-6,7-dimethoxyquinoline

C11H10ClNO2

结构：O=C(c1ccccc1)C1CC(=O)N(c2ccc(O)c(F)c2)C1

HCID57445406

未命名化合物

PRODUCTS

生成物

结构：COc1cc2nccc(Oc3ccc(N4CC(C(=O)c5ccccc5)CC4=O)cc3F)c2cc1OC

HCID11857727

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-846d85da02cc4f7e97fcbd8014a5685f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:16]([c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)(=[O:23])[CH:24]1[CH2:25][C:26](=[O:37])[N:27]([c:29]2[cH:30][c:31]([F:36])[c:32]([OH:35])[cH:33][cH:34]2)[CH2:28]1.[CH3:38][N:39]([c:40]1[cH:41][cH:42][n:43][cH:44][cH:45]1)[CH3:46].[CH3:53][CH2:54][O:55][C:56]([CH3:57])=[O:58].[Cl:1][c:2]1[cH:3][cH:4][n:5][c:6]2[cH:7][c:8]([O:14][CH3:15])[c:9]([O:12][CH3:13])[cH:10][c:11]12.[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1>>[c:2]1([O:35][c:32]2[c:31]([F:36])[cH:30][c:29]([N:27]3[C:26](=[O:37])[CH2:25][CH:24]([C:16]([c:17]4[cH:18][cH:19][cH:20][cH:21][cH:22]4)=[O:23])[CH2:28]3)[cH:34][cH:33]2)[cH:3][cH:4][n:5][c:6]2[cH:7][c:8]([O:14][CH3:15])[c:9]([O:12][CH3:13])[cH:10][c:11]12