HRID191112

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

结构：c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1

HCID10232

2,4,5-Triphenylimidazole

C21H16N2

HCID19660

Carbonate

CO3-2

结构：CN(C)C=NS(=O)(=O)c1ccccc1-c1ccc(CBr)cc1

HCID54161706

未命名化合物

PRODUCTS

生成物

结构：CN(C)C=NS(=O)(=O)c1ccccc1-c1ccc(Cn2c(-c3ccccc3)nc(-c3ccccc3)c2-c2ccccc2)cc1

HCID70144593

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e160ee430a84905b46c5377fa8f8ad3
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

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