HRID698817

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID284

Formic acid

CH2O2

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID1117

Sulfate

O4S-2

HCID6344

Dichloromethane

CH2Cl2

HCID26623

Mercuric cation

Hg+2

结构：CC(C)(C)OC(=O)NCC#Cc1ccc(Cl)cc1C(=O)c1ccccc1F

HCID67505268

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCC(=O)c1ccc(Cl)cc1C(=O)c1ccccc1F

HCID67505459

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c6971d7f56b74999b16028d0b4b3db98
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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