HRID685497

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID702

Ethanol

C2H6O

HCID1068

Dimethyl sulfide

C2H6S

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID67184

1-Bromopyrrolidine-2,5-dione

C4H4BrNO2

结构：O=[N+]([O-])c1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1

HCID66968809

未命名化合物

结构：O=[N+]([O-])c1ccc(C=NNc2ccc(OC(F)(F)F)cc2)cc1

HCID67519187

未命名化合物

HCID178418441

未命名化合物

PRODUCTS

生成物

结构：Nc1ccc(-c2ncn(-c3ccc(OC(F)(F)F)cc3)n2)cc1

HCID57824490

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f3478cb4c142427793a03b21b7de7d2b
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

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