HRID2316511

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

2 次

HCID260

Hydrogen Bromide

BrH

HCID271

Calcium ion

Ca+2

2 次

HCID312

Chloride

Cl-

4 次

HCID313

Hydrochloric Acid

ClH

2 次

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID2681

Alkyl trimethyl ammonium compound C16 (ATMAC C16)

C19H42N+

HCID7764

Ethyl cyanoacetate

C5H7NO2

HCID19660

Carbonate

CO3-2

HCID31272

Butyl acetate

C6H12O2

HCID61739

Hypochlorite

ClO-

HCID70440

N,N-diethyl-N-methylethanaminium

C7H18N+

HCID108746

1,3-Pentadiene, 1,1-dichloro-4-methyl-

C6H8Cl2

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-a5c3e01efc474db6a222154e66e2ffc6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br-:27].[Br-:35].[Br:31].[C:1](#[N:2])[CH2:3][C:4](=[O:5])[O:6][CH2:7][CH3:8].[CH2:36]([N+:37]([CH3:38])([CH3:39])[CH3:40])[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH3:55].[CH3:57][N+:58]([CH2:59][CH3:60])([CH2:61][CH3:62])[CH2:63][CH3:64].[CH3:65][CH2:66][CH2:67][CH2:68][O:69][C:70](=[O:71])[CH3:72].[Ca+2:18].[Ca+2:25].[Cl-:17].[Cl-:23].[Cl-:24].[Cl-:56].[Cl:28][O-:29].[Cl:32].[Cl:9][C:10](=[CH:11][CH:12]=[C:13]([CH3:14])[CH3:15])[Cl:16].[ClH:33].[K+:26].[Na+:30].[O-:19][C:20](=[O:21])[O-:22].[OH2:34]>>[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:16])[C:13]1([CH3:14])[CH3:15]