HRID1542541

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID6212

Chloroform

CHCl3

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14232

N-Methoxymethylamine

C2H7NO

HCID62365

Isobutyl chloroformate

C5H9ClO2

结构：O=C(O)c1cn(C2CCCC2)c2cc(NC3CCCCC3)c(F)cc2c1=O

HCID66636919

未命名化合物

PRODUCTS

生成物

结构：CON(C)C(=O)c1cn(C2CCCC2)c2cc(NC3CCCCC3)c(F)cc2c1=O

HCID86633049

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ad239cbd985c4a3f81dd030eb2a19cf5
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

[CH3:37][NH:38][O:39][CH3:40].[CH3:50][CH2:51][N:52]([CH2:53][CH3:54])[CH2:55][CH3:56].[CH:43]([Cl:44])([Cl:45])[Cl:46].[CH:9]1([NH:15][c:16]2[c:17]([F:35])[cH:18][c:19]3[c:20](=[O:34])[c:21]([C:31](=[O:32])[OH:33])[cH:22][n:23]([CH:26]4[CH2:27][CH2:28][CH2:29][CH2:30]4)[c:24]3[cH:25]2)[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]1.[Cl-:41].[Cl:1][C:2]([O:3][CH2:4][CH:5]([CH3:6])[CH3:7])=[O:8].[Cl:47][CH2:48][Cl:49].[ClH:36].[NH4+:42]>>[CH:9]1([NH:15][c:16]2[c:17]([F:35])[cH:18][c:19]3[c:20](=[O:34])[c:21]([C:31](=[O:33])[N:38]([CH3:37])[O:39][CH3:40])[cH:22][n:23]([CH:26]4[CH2:27][CH2:28][CH2:29][CH2:30]4)[c:24]3[cH:25]2)[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14]1