HRID814993

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID923

Sodium ion

Na+

2 次

HCID943

Nitrate

NO3-

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID23974

Cerium

HCID159940

Disulfite

O5S2-2

结构：COc1ccc(CN2C(=O)OC(CNC(=O)c3ccc(F)cc3)(C(F)(F)F)c3cc(Br)ccc32)cc1

HCID44549804

未命名化合物

PRODUCTS

生成物

结构：O=C1Nc2ccc(Br)cc2C(CNC(=O)c2ccc(F)cc2)(C(F)(F)F)O1

HCID44549926

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d28c8faca214da1bccf00c68b506459
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:36]1)[C:7]([C:21]([F:22])([F:23])[F:24])([CH2:25][NH:26][C:27]([c:28]1[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]1)=[O:35])[O:8][C:9](=[O:20])[N:10]2[CH2:11][c:12]1[cH:13][cH:14][c:15]([O:16][CH3:17])[cH:18][cH:19]1.[CH3:52][C:53]#[N:54].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Ce:42].[N+:37]([O-:38])([O-:39])=[O:40].[NH4+:41].[Na+:50].[Na+:51].[S:43]([S:44]([O-:45])=[O:46])([O-:47])(=[O:48])=[O:49]>>[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:6]([cH:36]1)[C:7]([C:21]([F:22])([F:23])[F:24])([CH2:25][NH:26][C:27]([c:28]1[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]1)=[O:35])[O:8][C:9](=[O:20])[NH:10]2