HRID2328901

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID7498

alpha-Bromotoluene

C7H7Br

HCID19660

Carbonate

CO3-2

反应SMILES：Cc1oc(-c2ccccc2)nc1COc1ccc(COc2ccc(O)cc2CC#N)cc1

HCID68886242

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1oc(-c2ccccc2)nc1COc1ccc(COc2ccc(OCc3ccccc3)cc2CC#N)cc1

HCID68884902

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c0a1740ba1ef46028862cbb43060b7a3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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