HRID157226

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID10009

3-Pyridinamine

C5H6N2

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：Cc1cc(C)c2c(C#N)c(C=CC(=O)O)n(C3CCCc4ccccc43)c2n1

HCID69058885

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)c2c(C#N)c(C=CC(=O)Nc3cccnc3)n(C3CCCc4ccccc43)c2n1

HCID69065080

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-30751b934c3e4028b77e29cec8702560
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1](#[N:2])[c:3]1[c:4]([CH:24]=[CH:25][C:26](=[O:27])[OH:28])[n:5]([CH:14]2[CH2:15][CH2:16][CH2:17][c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]32)[c:6]2[n:7][c:8]([CH3:13])[cH:9][c:10]([CH3:12])[c:11]12.[C:29]([Cl:30])(=[O:31])[C:32]([Cl:33])=[O:34].[CH2:49]1[O:50][CH2:51][CH2:52][CH2:53]1.[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[NH2:35][c:36]1[cH:37][n:38][cH:39][cH:40][cH:41]1.[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH2:54]>>[C:1](#[N:2])[c:3]1[c:4]([CH:24]=[CH:25][C:26](=[O:28])[NH:35][c:36]2[cH:37][n:38][cH:39][cH:40][cH:41]2)[n:5]([CH:14]2[CH2:15][CH2:16][CH2:17][c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]32)[c:6]2[n:7][c:8]([CH3:13])[cH:9][c:10]([CH3:12])[c:11]12