HRID830032

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID70966

Vanillylamine

C8H11NO2

HCID81531

Diisopropylethylamine

C8H19N

HCID69058885

未命名化合物

PRODUCTS

产物

HCID178492371

3-[3-cyano-4,6-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolo[2,3-b]pyridin-2-yl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]prop-2-enamide

C31H30N4O3

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