HRID684133

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

HCID2724942

未命名化合物

HCID23533610

3-Methoxyoxan-4-one

C6H10O3

结构：CC(C)C1(C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)CCC(N)C1

HCID178439755

未命名化合物

PRODUCTS

生成物

结构：COC1COCCC1NC1CCC(C(=O)N2CCN(c3nccc(C(F)(F)F)n3)CC2)(C(C)C)C1

HCID68865973

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4377242f13b64759af70f1df8253e0b2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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