HRID104666

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID798

Indole

C8H7N

HCID813

Potassium cation

K+

3 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID7813

4-Methylbenzenamine

C7H9N

HCID8182

Dodecane

C12H26

HCID8857

Ethyl Acetate

C4H8O2

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID88006

Diethylsalicylamide

C11H15NO2

HCID136357

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

C8H9Br

PRODUCTS

产物

HCID9813156

3,5-Dimethyl-N-(4-methylphenyl)benzenamine

C15H17N

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-31a4fd93e63a401295ea861643a57233
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

[Br:31][c:32]1[cH:33][c:34]([CH3:39])[cH:35][c:36]([CH3:38])[cH:37]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].[CH3:42][CH2:43][CH2:44][CH2:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH3:53].[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71].[Cu:63][I:64].[K+:28].[K+:29].[K+:30].[NH2:15][c:16]1[cH:17][cH:18][c:19]([CH3:22])[cH:20][cH:21]1.[NH4+:40].[OH-:41].[OH2:65].[P:23]([O-:24])([O-:25])([O-:26])=[O:27].[nH:54]1[c:55]2[c:56]([cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62]1>>[NH:15]([c:16]1[cH:17][cH:18][c:19]([CH3:22])[cH:20][cH:21]1)[c:32]1[cH:33][c:34]([CH3:39])[cH:35][c:36]([CH3:38])[cH:37]1