HRID283113

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8018

2-Methoxyethylamine

C3H9NO

HCID8857

Ethyl acetate

C4H8O2

HCID2724942

未命名化合物

结构：COc1ccc(CCNc2cc(-c3ccc(F)c(C=O)c3)nc(OC)n2)cc1

HCID11581719

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：COCCNCc1cc(-c2cc(NCCc3ccc(OC)cc3)nc(OC)n2)ccc1F

HCID57636103

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-edbb31607e2f460a8d0129784a4bc8d3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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