HRID119697

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID1118

Sulfuric acid

H2O4S

HCID8857

Ethyl acetate

C4H8O2

HCID24085

未命名化合物

HCID4574913

未命名化合物

结构：C=CCn1c(-c2ccccc2)c(-c2ccccc2)c2c(NCC3CCCS3)ncnc21

HCID69216254

未命名化合物

PRODUCTS

生成物

结构：c1ccc(-c2[nH]c3ncnc(NCC4CCCS4)c3c2-c2ccccc2)cc1

HCID11675422

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-059a5a0d3565445d8eaef07212e28859
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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