HRID286849

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1118

Sulfuric acid

H2O4S

结构：[O]=[Cr](=[O])([O-])[O][Cr](=[O])(=[O])[O-]

HCID24503

Dichromate

Cr2O7-2

结构：Cn1c(C(F)(F)F)cc(=O)n(-c2ccc3snc(C=O)c3c2)c1=O

HCID17852368

未命名化合物

HCID22119821

未命名化合物

PRODUCTS

生成物

结构：Cn1c(C(F)(F)F)cc(=O)n(-c2ccc3snc(C(=O)O)c3c2)c1=O

HCID11187860

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-059636953680448fa725ff82aeb9a68d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:36][n:37]1[c:38]([C:39]([F:40])([F:41])[F:42])[cH:43][c:44](=[O:47])[n:45](-[c:46]2[cH:48][cH:49][c:50]3[s:51][n:52][c:53]([CH:54]=[O:55])[c:56]3[cH:57]2)[c:58]1=[O:59].[CH3:65][C:66](=[O:67])[OH:68].[K+:1].[K+:2].[O-:3][Cr:4]([O:5][Cr:6](=[O:7])(=[O:8])[O-:9])(=[O:10])=[O:11].[OH2:69].[OH:12][CH2:13][c:14]1[n:15][s:16][c:17]2[c:18]1[cH:19][c:20](-[n:23]1[c:24](=[O:35])[n:25]([CH3:34])[c:26]([C:30]([F:31])([F:32])[F:33])[cH:27][c:28]1=[O:29])[cH:21][cH:22]2.[S:60](=[O:61])(=[O:62])([OH:63])[OH:64]>>[O:12]=[C:13]([c:14]1[n:15][s:16][c:17]2[c:18]1[cH:19][c:20](-[n:23]1[c:24](=[O:35])[n:25]([CH3:34])[c:26]([C:30]([F:31])([F:32])[F:33])[cH:27][c:28]1=[O:29])[cH:21][cH:22]2)[OH:47]