HRID212944

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID11563

Phenol, 3-bromo-

C6H5BrO

HCID14232

N-Methoxymethylamine

C2H7NO

HCID76809

N-((1,1-Dimethylethoxy)carbonyl)-beta-alanine

C8H15NO4

HCID10330950

1-bromo-3-(methoxymethoxy)benzene

C8H9BrO2

HCID178418339

Butyllithium

C4H9Li

HCID178502713

未命名化合物

PRODUCTS

生成物

HCID57423896

1,1-Dimethylethyl N-[3-[3-(methoxymethoxy)phenyl]-3-oxopropyl]carbamate

C16H23NO5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-beb922e8793d4b49992d948e98bd6838
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:12][c:13]1[cH:14][c:15]([OH:16])[cH:17][cH:18][cH:19]1.[Br:1][c:2]1[cH:3][c:4]([O:8][CH2:9][O:10][CH3:11])[cH:5][cH:6][cH:7]1.[C:31]([N:32]([CH2:33][CH2:34][C:35](=[O:36])[N:37]([O:38][CH3:39])[CH3:40])[C:41](=[O:42])[O-:43])([CH3:44])([CH3:45])[CH3:46].[C:47]([CH3:48])([CH3:49])([CH3:50])[O:51][C:52](=[O:53])[NH:54][CH2:55][CH2:56][C:57](=[O:58])[OH:59].[CH2:20]([Li:21])[CH2:22][CH2:23][CH3:24].[CH3:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30].[CH3:61][NH:62][O:63][CH3:64].[Cl-:65].[ClH:60].[NH4+:66].[O:67]1[CH2:68][CH2:69][CH2:70][CH2:71]1.[OH2:72]>>[c:2]1([C:57]([CH2:56][CH2:55][NH:54][C:52]([O:51][C:47]([CH3:48])([CH3:49])[CH3:50])=[O:53])=[O:58])[cH:3][c:4]([O:8][CH2:9][O:10][CH3:11])[cH:5][cH:6][cH:7]1