HRID1235749

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID31275

1,4-Dioxane

C4H8O2

HCID31374

Dimethylacetamide

C4H9NO

HCID803108

未命名化合物

HCID4574913

未命名化合物

HCID59186418

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2cccc3nc(Nc4cccc(OCCn5ccnc5)c4)nn23)cc1

HCID59589878

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-14194b1eadb5408f9e95f22c2b0c8a51
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

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