HRID160065

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

3 次

HCID7498

alpha-Bromotoluene

C7H7Br

HCID8857

Ethyl acetate

C4H8O2

HCID31347

Sulfolane

C4H8O2S

结构：CC1=Nc2ccc(S(=O)(=O)[O-])cc2C1(C)CCCCS(=O)(=O)[O-]

HCID156628584

未命名化合物

PRODUCTS

生成物

结构：CC1=[N+](Cc2ccccc2)c2ccc(S(=O)(=O)[O-])cc2C1(C)CCCCS(=O)(=O)O

HCID86614821

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-efbade7dc9fe46f0a78530b360ae0f5f
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

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