HRID287950

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

HCID787

Hydroxylamine

H3NO

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6341

Ethanamine

C2H7N

HCID8857

Ethyl acetate

C4H8O2

HCID62652

未命名化合物

HCID294619

methyl 3-bromopropiolate

C4H3BrO2

结构：C#CS(=O)(=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C

HCID22347825

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C#CC#CS(=O)(=O)c1cc2c(cc1C)C(C)(C)CCC2(C)C

HCID22347861

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1a2428e647544f9dbc24c84c6b72c81d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:4][C:5]#[C:6][C:7](=[O:8])[O:9][CH3:10].[C:14](#[CH:15])[S:16](=[O:17])(=[O:18])[c:19]1[cH:20][c:21]2[c:26]([cH:27][c:28]1[CH3:29])[C:25]([CH3:30])([CH3:31])[CH2:24][CH2:23][C:22]2([CH3:32])[CH3:33].[CH3:1][CH2:2][NH2:3].[CH3:37][OH:38].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[Cl-:34].[Cl:39][Cu:40].[ClH:11].[NH2:12][OH:13].[NH4+:35].[OH2:36]>>[C:5](#[C:6][C:7](=[O:8])[O:9][CH3:10])[C:15]#[C:14][S:16](=[O:17])(=[O:18])[c:19]1[cH:20][c:21]2[c:26]([cH:27][c:28]1[CH3:29])[C:25]([CH3:30])([CH3:31])[CH2:24][CH2:23][C:22]2([CH3:32])[CH3:33]