HRID677200

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID81531

Diisopropylethylamine

C8H19N

HCID21275322

未命名化合物

HCID21942568

5-Cyano-2-methoxybenzoic acid

C9H7NO3

结构：Nc1c[nH]nc1-c1nc2cc(CN3CCOCC3)ccc2[nH]1

HCID178508054

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C#N)cc1C(=O)Nc1c[nH]nc1-c1nc2cc(CN3CCOCC3)ccc2[nH]1

HCID178491050

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-16cdc6082f0142d6a3be4eafbaa28bd8
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

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