HRID2124782

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID1049

Pyridine

C5H5N

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID7918

Acetic anhydride

C4H6O3

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID14487

Diisobutylaluminum hydride

C8H19Al

HCID13611241

未命名化合物

PRODUCTS

生成物

HCID57905069

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7847a86c09054f42a2d786f4fc4224dc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:64]([O:65][CH2:66][CH3:67])(=[O:68])[CH3:69].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH:9]1[CH2:10][C:11](=[O:14])[O:12][CH2:13]1.[CH3:15][CH:16]([CH2:17][AlH:18][CH2:19][CH:20]([CH3:21])[CH3:22])[CH3:23].[CH3:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[CH3:37][C:38](=[O:39])[O:40][C:41]([CH3:42])=[O:43].[CH3:49][N:50]([CH3:51])[c:52]1[cH:53][cH:54][n:55][cH:56][cH:57]1.[CH3:58][CH2:59][CH2:60][CH2:61][CH2:62][CH3:63].[Cl-:44].[Cl:46][CH2:47][Cl:48].[NH4+:45].[cH:31]1[cH:32][cH:33][n:34][cH:35][cH:36]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH:9]1[CH2:10][CH:11]([O:14][C:38]([CH3:37])=[O:39])[O:12][CH2:13]1