HRID119161

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID9964167

未命名化合物

结构：CC(C)(C)OC(=O)Nc1noc2cc(CNC(=O)Cc3c(C#N)ccc(Cl)[n+]3[O-])ccc12

HCID58972995

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1noc2cc(CNC(=O)Cc3c(C#N)ccc(NCC(F)(F)c4ccccn4)[n+]3[O-])ccc12

HCID178453011

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1e17d76c510c476097b8da807e412db6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[c:4]([CH2:11][C:12](=[O:13])[NH:14][CH2:15][c:16]2[cH:17][c:18]3[c:19]([c:20]([NH:23][C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[n:21][o:22]3)[cH:31][cH:32]2)[n+:5]([O-:10])[c:6]([Cl:9])[cH:7][cH:8]1.[CH3:48][S:49]([CH3:50])=[O:51].[Cl:44][CH2:45][Cl:46].[F:33][C:34]([CH2:35][NH2:36])([c:37]1[n:38][cH:39][cH:40][cH:41][cH:42]1)[F:43].[OH2:47]>>[C:1](#[N:2])[c:3]1[c:4]([CH2:11][C:12](=[O:13])[NH:14][CH2:15][c:16]2[cH:17][c:18]3[c:19]([c:20]([NH:23][C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[n:21][o:22]3)[cH:31][cH:32]2)[n+:5]([O-:10])[c:6]([NH:36][CH2:35][C:34]([F:33])([c:37]2[n:38][cH:39][cH:40][cH:41][cH:42]2)[F:43])[cH:7][cH:8]1