HRID200510

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

HCID6429266

1,1-diethoxycyclododecane

C16H32O2

PRODUCTS

生成物

结构：CCOC1(OCCc2nc(C(C)C)c(Sc3cc(Cl)cc(Cl)c3)n2C)CCCCCCCCCCC1

HCID53852976

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-29b9631693c4454b87859a03eff841cb
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

[CH2:22]([CH3:23])[O:24][C:25]1([O:37][CH2:38][CH3:39])[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]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>>[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:25]3([O:24][CH2:22][CH3:23])[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]3)[n:14]2[CH3:15])[cH:5][c:6]([Cl:8])[cH:7]1