HRID280995

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：N#Cc1ccc2c(c1)CCCC2(OCCO)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

HCID66782193

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)OCCOC1(c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)CCCc2cc(C#N)ccc21

HCID86632961

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3ea6b761cb9144d18ed6503aac172376
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

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