HRID165633

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID813

Potassium cation

K+

3 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7408

(1-Aminoethyl)benzene

C8H11N

HCID8182

Dodecane

C12H26

HCID8857

Ethyl acetate

C4H8O2

HCID88006

Diethylsalicylamide

C11H15NO2

HCID136357

Benzene, 1-bromo-3,5-dimethyl-

C8H9Br

PRODUCTS

生成物

HCID21940682

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b8f5d6fd47334c03891cc10a321cc56f
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:23][c:24]1[cH:25][c:26]([CH3:31])[cH:27][c:28]([CH3:30])[cH:29]1.[CH2:1]([N:2]([CH2:3][CH3:4])[C:5](=[O:6])[c:7]1[c:8]([OH:13])[cH:9][cH:10][cH:11][cH:12]1)[CH3:14].[CH3:32][CH:33]([c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1)[NH2:40].[CH3:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH3:54].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[K+:20].[K+:21].[K+:22].[NH4+:41].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[OH-:42].[OH2:55].[P:15]([O-:16])([O-:17])([O-:18])=[O:19]>>[c:24]1([NH:40][CH:33]([CH3:32])[c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[cH:25][c:26]([CH3:31])[cH:27][c:28]([CH3:30])[cH:29]1