HRID184063

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID83336

2-Methyl-1H-indol-5-ol

C9H9NO

结构：COc1cc2c(Cl)ncnc2cc1OCCCN(C)S(C)(=O)=O

HCID22030690

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(Oc3ccc4[nH]c(C)cc4c3)ncnc2cc1OCCCN(C)S(C)(=O)=O

HCID22030893

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-56da9121c28148a087760d7f858b317f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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