HRID91854

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID8058

n-Hexane

C6H14

HCID24648

Sulfuryl chloride

Cl2O2S

结构：CCn1c(Nc2cc(C(F)(F)F)ccc2C(F)(F)F)nc(C(F)(F)F)cc1=O

HCID18549218

未命名化合物

PRODUCTS

生成物

结构：CCn1c(Nc2cc(C(F)(F)F)ccc2C(F)(F)F)nc(C(F)(F)F)c(Cl)c1=O

HCID18549190

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c7b70cd7670649c1b5176c718a2905d4
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

[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH3:6].[CH3:40][C:41](=[O:42])[OH:43].[F:12][C:13]([c:14]1[c:15]([NH:24][c:25]2[n:26][c:27]([C:34]([F:35])([F:36])[F:37])[cH:28][c:29](=[O:33])[n:30]2[CH2:31][CH3:32])[cH:16][c:17]([C:20]([F:21])([F:22])[F:23])[cH:18][cH:19]1)([F:38])[F:39].[S:7]([Cl:8])(=[O:9])([Cl:10])=[O:11]>>[Cl:10][c:28]1[c:27]([C:34]([F:35])([F:36])[F:37])[n:26][c:25]([NH:24][c:15]2[c:14]([C:13]([F:12])([F:38])[F:39])[cH:19][cH:18][c:17]([C:20]([F:21])([F:22])[F:23])[cH:16]2)[n:30]([CH2:31][CH3:32])[c:29]1=[O:33]