HRID195634

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID8028

Tetrahydrofuran

C4H8O

结构：CC(C)c1nc(CCO)n(C)c1Sc1cc(Cl)cc(Cl)c1

HCID474010

2-(5-(3,5-Dichlorophenylthio)-4-isopropyl-1-methyl-1H-imidazol-2-yl)ethanol

C15H18Cl2N2OS

HCID42586710

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1nc(CCOC2=CCCCCCC2)n(C)c1Sc1cc(Cl)cc(Cl)c1

HCID53707205

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-59a60f1be4c64fe2b412e0818c02bdff
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:34][O:35][C:36]1=[CH:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]1.[Cl:1][c:2]1[cH:3][c:4]([S:9][c:10]2[c:11]([CH:19]([CH3:20])[CH3:21])[n:12][c:13]([CH2:16][CH2:17][OH:18])[n:14]2[CH3:15])[cH:5][c:6]([Cl:8])[cH:7]1.[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH2:22].[c:23]1([CH3:24])[cH:25][cH:26][c:27]([S:28]([OH:29])(=[O:30])=[O:31])[cH:32][cH:33]1>>[Cl:1][c:2]1[cH:3][c:4]([S:9][c:10]2[c:11]([CH:19]([CH3:20])[CH3:21])[n:12][c:13]([CH2:16][CH2:17][O:18][C:36]3=[CH:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]3)[n:14]2[CH3:15])[cH:5][c:6]([Cl:8])[cH:7]1