HRID2321894

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8471

Triethylamine

C6H15N

HCID70264

Cyclohexene, 1-methoxy-

C7H12O

HCID473916

{5-[(3,5-Dichlorophenyl)sulfanyl]-1-methyl-4-(propan-2-yl)-1H-imidazol-2-yl}methanol

C14H16Cl2N2OS

HCID4989215

Pyridinium

C5H6N+

PRODUCTS

生成物

结构：COC1(OCc2nc(C(C)C)c(Sc3cc(Cl)cc(Cl)c3)n2C)CCCCC1

HCID18792007

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a85d536ef424f6eaabf0bb127ed1904
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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