HRID1128338

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID21406529

未命名化合物

HCID22168583

4-Cyano-3-nitrobenzoic acid

C8H4N2O4

结构：Nc1c(Br)cc(C(F)(C(F)(F)F)C(F)(F)C(F)(F)F)cc1Br

HCID58297412

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccc(C(=O)Nc2c(Br)cc(C(F)(C(F)(F)F)C(F)(F)C(F)(F)F)cc2Br)cc1[N+](=O)[O-]

HCID86761816

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1197a5e89d50498fba35b804ba860964
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br:21][c:22]1[c:23]([NH2:42])[c:24]([Br:41])[cH:25][c:26]([C:28]([C:29]([C:30]([F:31])([F:32])[F:33])([F:34])[F:35])([C:36]([F:37])([F:38])[F:39])[F:40])[cH:27]1.[C:1](#[N:2])[c:3]1[c:4]([N+:12](=[O:13])[O-:14])[cH:5][c:6]([C:7](=[O:8])[OH:9])[cH:10][cH:11]1.[C:49]([c:50]1[cH:51][cH:52][c:53]([C:54]([Cl:55])=[O:56])[cH:57][c:58]1[N+:59]([O-:60])=[O:61])#[N:62].[C:63](=[O:64])([O-:65])[OH:66].[CH3:76][N:77]([CH3:78])[CH:79]=[O:80].[Cl:15][C:16]([C:17]([Cl:18])=[O:19])=[O:20].[Cl:68][CH2:69][Cl:70].[Na+:67].[O:71]1[CH2:72][CH2:73][CH2:74][CH2:75]1.[cH:43]1[cH:44][cH:45][n:46][cH:47][cH:48]1>>[C:1](#[N:2])[c:3]1[c:4]([N+:12](=[O:13])[O-:14])[cH:5][c:6]([C:7](=[O:9])[NH:42][c:23]2[c:22]([Br:21])[cH:27][c:26]([C:28]([C:29]([C:30]([F:31])([F:32])[F:33])([F:34])[F:35])([C:36]([F:37])([F:38])[F:39])[F:40])[cH:25][c:24]2[Br:41])[cH:10][cH:11]1