HRID936065

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID12297

2-Hexanol

C6H14O

结构：COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1

HCID52999

Metsulfuron-methyl

C14H15N5O6S

HCID16682925

Aluminum, trimethyl-

C3H9Al

PRODUCTS

生成物

结构：CCCCC(C)OC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(C)nc(OC)n1

HCID13176699

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7c2892fe960c4b69ab8ab4c3940dacf8
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:12][O:13][c:14]1[n:15][c:16]([NH:21][C:22](=[O:23])[NH:24][S:25](=[O:26])(=[O:27])[c:28]2[c:29]([C:34](=[O:35])[O:36][CH3:37])[cH:30][cH:31][cH:32][cH:33]2)[n:17][c:18]([CH3:20])[n:19]1.[CH3:1][CH:2]([CH2:3][CH2:4][CH2:5][CH3:6])[OH:7].[CH3:38][c:39]1[cH:40][cH:41][cH:42][cH:43][cH:44]1.[CH3:8][Al:9]([CH3:10])[CH3:11]>>[CH3:1][CH:2]([CH2:3][CH2:4][CH2:5][CH3:6])[O:7][C:34]([c:29]1[c:28]([S:25]([NH:24][C:22]([NH:21][c:16]2[n:15][c:14]([O:13][CH3:12])[n:19][c:18]([CH3:20])[n:17]2)=[O:23])(=[O:26])=[O:27])[cH:33][cH:32][cH:31][cH:30]1)=[O:35]