HRID1231165

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID602

DL-Alanine

C3H7NO2

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8058

n-Hexane

C6H14

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

2 次

HCID11575

Benzene, iodo-

C6H5I

HCID17208

Benzyltriethylammonium

C13H22N+

HCID19660

Carbonate

CO3-2

HCID24350

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

CuI

PRODUCTS

生成物

HCID2760357

N-Phenylalanine

C9H11NO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-362fa160e9f74ff0973fb0e655eb7f3c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:50]([OH:51])(=[O:52])[CH3:53].[C:54]([O:55][CH2:56][CH3:57])(=[O:58])[CH3:59].[CH2:22]([N+:23]([CH2:24][CH3:25])([CH2:26][CH3:27])[CH2:28][CH3:29])[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[CH3:1][CH:2]([NH2:3])[C:4]([OH:5])=[O:6].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[CH3:60][CH2:61][CH2:62][CH2:63][CH2:64][CH3:65].[CH3:66][CH2:67][N:68]([CH2:69][CH3:70])[CH2:71][CH3:72].[Cl-:21].[ClH:20].[Cu:48][I:49].[I:7][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1.[K+:14].[K+:15].[O-:16][C:17]([O-:18])=[O:19].[O:36]=[CH:37][N:38]([CH3:39])[CH3:40].[OH2:47]>>[CH3:1][CH:2]([NH:3][c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[C:4]([OH:5])=[O:6]