HRID2144564

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID241

Benzene

C6H6

HCID312

Chloride

Cl-

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6395

Methanesulfonic acid

CH4O3S

HCID6584

Methyl acetate

C3H6O2

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID281857

4,6-dimethyl-3,4-dihydro-2h-pyran-2-one

C7H10O2

HCID87290825

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

HCID67159275

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-37e5eff98c014a1ea1864ae98177d8eb
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:13]([O:14][CH3:15])(=[O:16])[CH3:17].[C:48](=[O:49])([OH:50])[O-:51].[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[CH2:8]([Li:9])[CH2:10][CH2:11][CH3:12].[CH3:18][CH:19]1[CH:20]=[C:21]([CH3:22])[O:23][C:24](=[O:25])[CH2:26]1.[CH3:29][CH:30]([CH2:31][C:32]([CH2:33][C:34](=[O:35])[O:36][CH3:37])=[O:38])[CH2:39][C:40]([CH3:41])=[O:42].[CH3:43][S:44](=[O:45])(=[O:46])[OH:47].[CH:1]([NH:2][CH:3]([CH3:4])[CH3:5])([CH3:6])[CH3:7].[Cl-:27].[NH4+:28].[Na+:52].[cH:58]1[cH:59][cH:60][cH:61][cH:62][cH:63]1>>[CH3:29][CH:30]1[CH2:31][C:32](=[O:38])[C:33]([C:34](=[O:35])[O:36][CH3:37])=[C:40]([CH3:41])[CH2:39]1