HRID2316161

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID888

Magnesium cation

Mg+2

HCID1117

Sulfate

O4S-2

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID581760

3-Thiopheneboronic acid

C4H5BO2S

结构：COc1ncnc2sc(-c3c(-c4ccccc4)nc(Br)n3C)nc12

HCID69197217

未命名化合物

PRODUCTS

生成物

结构：COc1ncnc2sc(-c3c(-c4ccccc4)nc(-c4ccsc4)n3C)nc12

HCID69196335

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a348119a4bb94f7385bf36e52fef2845
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:1][c:2]1[n:3]([CH3:24])[c:4](-[c:13]2[s:14][c:15]3[n:16][cH:17][n:18][c:19]([O:22][CH3:23])[c:20]3[n:21]2)[c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[n:6]1.[C:33](=[O:34])([O-:35])[O-:36].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[K+:37].[K+:38].[Mg+2:39].[O-:40][S:41]([O-:42])(=[O:43])=[O:44].[s:25]1[cH:26][c:27]([B:30]([OH:31])[OH:32])[cH:28][cH:29]1>>[c:2]1(-[c:27]2[cH:26][s:25][cH:29][cH:28]2)[n:3]([CH3:24])[c:4](-[c:13]2[s:14][c:15]3[n:16][cH:17][n:18][c:19]([O:22][CH3:23])[c:20]3[n:21]2)[c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[n:6]1