HRID308546

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID81531

Diisopropylethylamine

C8H19N

HCID4400143

2,6-Dibromobenzoic acid

C7H4Br2O2

结构：NCC(O)(CNC(=O)c1cnn(-c2ccc(F)cc2)c1N)C(F)(F)F

HCID59487494

未命名化合物

PRODUCTS

生成物

结构：Nc1c(C(=O)NCC(O)(CNC(=O)c2c(Br)cccc2Br)C(F)(F)F)cnn1-c1ccc(F)cc1

HCID59487512

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-258f437e9a004adab2ad09aee70597bc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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