HRID111372

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID9740

Cyanoacetic acid

C3H3NO2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：CC(=O)N1CCN(c2ccc(Nc3ncc(F)c(N4CCC(N)CC4)n3)cc2)CC1

HCID44467168

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCN(c2ccc(Nc3ncc(F)c(N4CCC(NC(=O)CC#N)CC4)n3)cc2)CC1

HCID44467245

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f3aa1f7f90a64cec85e940ca13ba1f00
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])[CH2:3][C:4](=[O:5])[OH:6].[Cl:43][CH2:44][Cl:45].[Cl:7][C:8]([C:9]([Cl:10])=[O:11])=[O:12].[NH2:13][CH:14]1[CH2:15][CH2:16][N:17]([c:20]2[n:21][c:22]([NH:27][c:28]3[cH:29][cH:30][c:31]([N:34]4[CH2:35][CH2:36][N:37]([C:40]([CH3:41])=[O:42])[CH2:38][CH2:39]4)[cH:32][cH:33]3)[n:23][cH:24][c:25]2[F:26])[CH2:18][CH2:19]1.[O:46]=[CH:47][N:48]([CH3:49])[CH3:50]>>[C:1](#[N:2])[CH2:3][C:4](=[O:6])[NH:13][CH:14]1[CH2:15][CH2:16][N:17]([c:20]2[n:21][c:22]([NH:27][c:28]3[cH:29][cH:30][c:31]([N:34]4[CH2:35][CH2:36][N:37]([C:40]([CH3:41])=[O:42])[CH2:38][CH2:39]4)[cH:32][cH:33]3)[n:23][cH:24][c:25]2[F:26])[CH2:18][CH2:19]1