HRID120951

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

HCID11521453

未命名化合物

PRODUCTS

生成物

结构：COC1(OCCc2nc(C(C)C)c(Sc3cc(Cl)cc(Cl)c3)n2C)c2ccccc2-c2ccccc21

HCID18792042

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4de2d436a07144cead123bdc531e4aea
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[CH3:22][O:23][C:24]1([O:37][CH3:38])[c:25]2[cH:26][cH:27][cH:28][cH:29][c:30]2-[c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]21.[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>>[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:24]3([O:23][CH3:22])[c:25]4[cH:26][cH:27][cH:28][cH:29][c:30]4-[c:31]4[cH:32][cH:33][cH:34][cH:35][c:36]43)[n:14]2[CH3:15])[cH:5][c:6]([Cl:8])[cH:7]1