HRID99783

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID2724942

未命名化合物

HCID14170926

3-Methyloxan-4-one

C6H10O2

结构：CC(C)C1(C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)CCC(N)C1

HCID178439750

未命名化合物

PRODUCTS

生成物

结构：CC1COCCC1NC1CCC(C(=O)N2CCN(c3cccc(C(F)(F)F)n3)CC2)(C(C)C)C1

HCID178431382

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16eb6e842e0542b39077f8691ec75534
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:45]([O:46][BH-:47]([O:48][C:49](=[O:50])[CH3:51])[O:52][C:53](=[O:54])[CH3:55])(=[O:56])[CH3:57].[CH2:59]([Cl:60])[Cl:61].[CH3:30][CH:31]1[CH2:32][O:33][CH2:34][CH2:35][C:36]1=[O:37].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[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][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+:58].[OH2:62]>>[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][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:36]2[CH:31]([CH3:30])[CH2:32][O:33][CH2:34][CH2:35]2)[CH2:9][CH2:10]1