HRID287944

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID222

Ammonia gas

H3N

HCID223

Ammonia ion (NH4+)

H4N+

HCID280

Carbon dioxide

CO2

HCID312

Chloride

Cl-

4 次

HCID962

Water

H2O

HCID3283

Diethyl Ether

C4H10O

HCID29936

Fe+3 ion

Fe+3

HCID2777988

2-(3-Bromopropoxy)tetrahydro-2H-pyran

C8H15BrO2

HCID5360545

Sodium

HCID14230259

1-(4-Fluorophenyl)-1,3-dihydroisobenzofuran

C14H11FO

PRODUCTS

产物

HCID19883543

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7f4578af9525459892dad4c73e7d9ffa
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:26][CH2:27][CH2:28][CH2:29][O:30][CH:31]1[O:32][CH2:33][CH2:34][CH2:35][CH2:36]1.[C:5](=[O:6])=[O:7].[CH3:1][C:2](=[O:3])[CH3:4].[Cl-:37].[Cl-:39].[Cl-:41].[Cl-:42].[F:10][c:11]1[cH:12][cH:13][c:14]([CH:17]2[O:18][CH2:19][c:20]3[cH:21][cH:22][cH:23][cH:24][c:25]32)[cH:15][cH:16]1.[Fe+3:40].[NH3:8].[NH4+:38].[Na:9].[O:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[OH2:43]>>[F:10][c:11]1[cH:12][cH:13][c:14]([C:17]2([CH2:27][CH2:28][CH2:29][O:30][CH:31]3[O:32][CH2:33][CH2:34][CH2:35][CH2:36]3)[O:18][CH2:19][c:20]3[cH:21][cH:22][cH:23][cH:24][c:25]32)[cH:15][cH:16]1