HRID290572

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID1140

Toluene

C7H8

HCID4622928

Cyanomethylenetributylphosphorane

C14H28NP

结构：CCC(CNS(=O)(=O)C1(C)CC1)N1C(=O)C(C)(CC(=O)OC)CC(c2cccc(Cl)c2)C1c1ccc(Cl)cc1

HCID77384599

未命名化合物

PRODUCTS

生成物

结构：CCC(CN(C)S(=O)(=O)C1(C)CC1)N1C(=O)C(C)(CC(=O)OC)CC(c2cccc(Cl)c2)C1c1ccc(Cl)cc1

HCID178449855

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5eaf4bea108d41c5a2ba4d1a27221651
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:40]([P:41]([CH2:42][CH2:43][CH2:44][CH3:45])([CH2:46][CH2:47][CH2:48][CH3:49])=[CH:50][C:51]#[N:52])[CH2:53][CH2:54][CH3:55].[CH3:56][OH:57].[CH3:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[Cl:1][c:2]1[cH:3][c:4]([CH:8]2[CH2:9][C:10]([CH3:34])([CH2:35][C:36](=[O:37])[O:38][CH3:39])[C:11](=[O:33])[N:12]([CH:21]([CH2:22][NH:23][S:24](=[O:25])(=[O:26])[C:27]3([CH3:30])[CH2:28][CH2:29]3)[CH2:31][CH3:32])[CH:13]2[c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:5][cH:6][cH:7]1>>[Cl:1][c:2]1[cH:3][c:4]([CH:8]2[CH2:9][C:10]([CH3:34])([CH2:35][C:36](=[O:37])[O:38][CH3:39])[C:11](=[O:33])[N:12]([CH:21]([CH2:22][N:23]([S:24](=[O:25])(=[O:26])[C:27]3([CH3:30])[CH2:28][CH2:29]3)[CH3:40])[CH2:31][CH3:32])[CH:13]2[c:14]2[cH:15][cH:16][c:17]([Cl:20])[cH:18][cH:19]2)[cH:5][cH:6][cH:7]1