HRID1152035

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

2 次

HCID6638

Benzenesulfonic acid, 4-methyl-, ethyl ester

C9H12O3S

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：CC[N+]1=C(C)C(C)(CCCCS(=O)(=O)O)c2cc(S(=O)(=O)[O-])ccc21

HCID86614810

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-903bee20b7774fd783e2d21806419c86
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

[CH2:26]([CH3:27])[O:28][S:29]([c:30]1[cH:31][cH:32][c:33]([CH3:34])[cH:35][cH:36]1)(=[O:37])=[O:38].[CH2:39]1[S:40](=[O:41])(=[O:42])[CH2:43][CH2:44][CH2:45]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].[CH3:46][OH:47].[CH3:48][CH2:49][O:50][C:51]([CH3:52])=[O:53].[Na+:24].[Na+:25]>>[CH3:1][C:2]1=[N+:3]([CH2:26][CH3:27])[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]