HRID141794

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID962

Water

H2O

HCID1117

Sulfate

O4S-2

HCID1118

Sulfuric acid

H2O4S

HCID26623

Mercuric cation

Hg+2

结构：COc1cc(-c2cnc3c(n2)c(C#Cc2ccccc2)cn3S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC

HCID59540633

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-c2cnc3c(n2)c(CC(=O)c2ccccc2)cn3S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC

HCID59541006

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-94738487c07842029ceed44f75cf6552
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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