HRID1143747

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID875

2,3-Dihydroxybutanedioic acid

C4H6O6

HCID1140

Toluene

C7H8

HCID6342

Acetonitrile

C2H3N

HCID13003

Pyrrolidine, 2-methyl-

C5H11N

HCID19660

Carbonate

CO3-2

结构：Cc1ccc(S(=O)(=O)OCCc2cc3cc(Br)ccc3o2)cc1

HCID22638855

未命名化合物

PRODUCTS

生成物

HCID22274547

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-36fb646851d742a0ad661d7d155a48d5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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