HRID94065

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(NC1CC(=O)N(c2ccc(O)c(F)c2)C1)c1ccccc1

HCID68421403

未命名化合物

PRODUCTS

生成物

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

HCID11857726

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ccbaa953ddb846feb988598e9923c57a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:39][N:40]([c:41]1[cH:42][cH:43][n:44][cH:45][cH:46]1)[CH3:47].[CH3:54][CH2:55][O:56][C:57]([CH3:58])=[O:59].[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.[F:16][c:17]1[cH:18][c:19]([N:24]2[CH2:25][CH:26]([NH:30][C:31]([c:32]3[cH:33][cH:34][cH:35][cH:36][cH:37]3)=[O:38])[CH2:27][C:28]2=[O:29])[cH:20][cH:21][c:22]1[OH:23].[O:48]1[CH2:49][CH2:50][O:51][CH2:52][CH2:53]1>>[c:2]1([O:23][c:22]2[c:17]([F:16])[cH:18][c:19]([N:24]3[CH2:25][CH:26]([NH:30][C:31]([c:32]4[cH:33][cH:34][cH:35][cH:36][cH:37]4)=[O:38])[CH2:27][C:28]3=[O:29])[cH:20][cH:21]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