HRID830032

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID70966

Vanillylamine

C8H11NO2

HCID81531

Diisopropylethylamine

C8H19N

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：COc1cc(CNC(=O)C=Cc2c(C#N)c3c(C)cc(C)nc3n2C2CCCc3ccccc32)ccc1O

HCID178492371

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11d9b1e18ed148d287da097be6e1e484
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

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].[CH2:56]1[O:57][CH2:58][CH2:59][CH2:60]1.[CH:47]([N:48]([CH:49]([CH3:50])[CH3:51])[CH2:52][CH3:53])([CH3:54])[CH3:55].[ClH:35].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[OH2:61].[OH:36][c:37]1[c:38]([O:45][CH3:46])[cH:39][c:40]([CH2:41][NH2:42])[cH:43][cH:44]1>>[C:1](#[N:2])[c:3]1[c:4]([CH:24]=[CH:25][C:26](=[O:28])[NH:42][CH2:41][c:40]2[cH:39][c:38]([O:45][CH3:46])[c:37]([OH:36])[cH:44][cH:43]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