HRID300780

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID7914

Isopropyl ether

C6H14O

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(C)(C)OC(=O)NC1CCC(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1

HCID66626762

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：NC1CCC(CCN2CCC(C(=O)c3ccc(F)cc3)CC2)CC1

HCID57577329

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cf054158e6b34bc786277bb389891502
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:1]([O:2][C:3](=[O:4])[NH:7][CH:8]1[CH2:9][CH2:10][CH:11]([CH2:14][CH2:15][N:16]2[CH2:17][CH2:18][CH:19]([C:22]([c:23]3[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]3)=[O:30])[CH2:20][CH2:21]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:31].[CH:42]([O:43][CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[Cl:39][CH2:40][Cl:41].[ClH:32].[O:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1>>[ClH:32].[NH2:7][CH:8]1[CH2:9][CH2:10][CH:11]([CH2:14][CH2:15][N:16]2[CH2:17][CH2:18][CH:19]([C:22]([c:23]3[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]3)=[O:30])[CH2:20][CH2:21]2)[CH2:12][CH2:13]1