HRID191744

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID7839

1,2-Dibromoethane

C2H4Br2

HCID8028

Tetrahydrofuran

C4H8O

HCID2761183

1-bromo-4-(difluoromethyl)benzene

C7H5BrF2

HCID5462224

Magnesium

结构：CC(=O)OCC1OC(n2cc(C=O)c3c(F)cccc32)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID78088064

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCC1OC(n2cc(C(O)c3ccc(C(F)F)cc3)c3c(F)cccc32)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

HCID178475981

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d022598278e34926b449f3c2305e28fc
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][CH2:13][CH2:14][Br:15].[Br:2][c:3]1[cH:4][cH:5][c:6]([CH:9]([F:10])[F:11])[cH:7][cH:8]1.[Cl-:51].[F:16][c:17]1[c:18]2[c:19]([CH:49]=[O:50])[cH:20][n:21]([CH:26]3[CH:27]([O:28][C:29]([CH3:30])=[O:31])[CH:32]([O:33][C:34]([CH3:35])=[O:36])[CH:37]([O:38][C:39]([CH3:40])=[O:41])[CH:42]([CH2:44][O:45][C:46]([CH3:47])=[O:48])[O:43]3)[c:22]2[cH:23][cH:24][cH:25]1.[Mg:1].[NH4+:52].[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1>>[c:3]1([CH:49]([c:19]2[c:18]3[c:17]([F:16])[cH:25][cH:24][cH:23][c:22]3[n:21]([CH:26]3[CH:27]([O:28][C:29]([CH3:30])=[O:31])[CH:32]([O:33][C:34]([CH3:35])=[O:36])[CH:37]([O:38][C:39]([CH3:40])=[O:41])[CH:42]([CH2:44][O:45][C:46]([CH3:47])=[O:48])[O:43]3)[cH:20]2)[OH:50])[cH:4][cH:5][c:6]([CH:9]([F:10])[F:11])[cH:7][cH:8]1