HRID170123

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID312

Chloride

Cl-

2 次

HCID313

Hydrochloric Acid

ClH

HCID888

Magnesium cation

Mg+2

HCID962

Water

H2O

HCID2681

Alkyl trimethyl ammonium compound C16 (ATMAC C16)

C19H42N+

HCID7764

Ethyl cyanoacetate

C5H7NO2

HCID19660

Carbonate

CO3-2

HCID23978

Copper

HCID31272

Butyl acetate

C6H12O2

HCID70440

N,N-diethyl-N-methylethanaminium

C7H18N+

HCID5460341

Calcium

HCID20574281

未命名化合物

PRODUCTS

生成物

HCID12898169

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ee0807649eda447e82f0ada0888a73f3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br-:28].[C:1](#[N:2])[CH2:3][C:4](=[O:5])[O:6][CH2:7][CH3:8].[C:59]([O:60][CH2:61][CH2:62][CH2:63][CH3:64])(=[O:65])[CH3:66].[CH2:29]([N+:30]([CH3:31])([CH3:32])[CH3:33])[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH3:48].[CH3:50][N+:51]([CH2:52][CH3:53])([CH2:54][CH3:55])[CH2:56][CH3:57].[Ca:19].[Cl-:25].[Cl-:49].[Cl:9][C:10](=[CH:11][CH:12]([C:13]([CH3:14])([CH3:15])[Br:17])[Br:16])[Cl:18].[ClH:26].[Cu:58].[Mg+2:20].[O-:21][C:22](=[O:23])[O-:24].[OH2:27]>>[C:1](#[N:2])[C:3]1([C:4](=[O:5])[O:6][CH2:7][CH3:8])[CH:12]([CH:11]=[C:10]([Cl:9])[Cl:18])[C:13]1([CH3:14])[CH3:15]