HRID1556465

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID2724942

未命名化合物

HCID23533599

3-Ethoxytetrahydro-4H-pyran-4-one

C7H12O3

结构：CC(C)C1(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)CCC(N)C1

HCID76652796

未命名化合物

PRODUCTS

生成物

结构：CCOC1COCCC1NC1CCC(C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)(C(C)C)C1

HCID73058931

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-829dfec8a74449e9aacda48f274f59b1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:47]([O:48][BH-:49]([O:50][C:51](=[O:52])[CH3:53])[O:54][C:55](=[O:56])[CH3:57])(=[O:58])[CH3:59].[CH2:30]([CH3:31])[O:32][CH:33]1[CH2:34][O:35][CH2:36][CH2:37][C:38]1=[O:39].[CH2:61]([Cl:62])[Cl:63].[CH3:40][CH2:41][N:42]([CH2:43][CH3:44])[CH2:45][CH3:46].[CH3:64][CH2:65][O:66][C:67]([CH3:68])=[O:69].[CH:3]([CH3:4])([CH3:5])[C:6]1([C:12](=[O:13])[N:14]2[CH2:15][CH2:16][N:17]([c:20]3[cH:21][c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][cH:24][cH:25]3)[CH2:18][CH2:19]2)[CH2:7][CH:8]([NH2:11])[CH2:9][CH2:10]1.[ClH:1].[ClH:2].[Na+:60]>>[CH:3]([CH3:4])([CH3:5])[C:6]1([C:12](=[O:13])[N:14]2[CH2:15][CH2:16][N:17]([c:20]3[cH:21][c:22]([C:26]([F:27])([F:28])[F:29])[cH:23][cH:24][cH:25]3)[CH2:18][CH2:19]2)[CH2:7][CH:8]([NH:11][CH:38]2[CH:33]([O:32][CH2:30][CH3:31])[CH2:34][O:35][CH2:36][CH2:37]2)[CH2:9][CH2:10]1