HRID686435

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6395

Methanesulfonic acid

CH4O3S

HCID7858

Allyl alcohol

C3H6O

HCID19660

Carbonate

CO3-2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID104967

Cesium(1+)

Cs+

2 次

结构：Cn1c(=O)[nH]c2nn(Cc3cccc4ccccc34)c(-c3ccncc3)c2c1=O

HCID136334113

未命名化合物

PRODUCTS

生成物

结构：C=CCn1c(=O)n(C)c(=O)c2c(-c3ccncc3)n(Cc3cccc4ccccc34)nc21

HCID58980964

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fd90d1089b6d4171bc114d7e77f7ed5d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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