HRID213535

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8716799

5-Bromo-N-[2-(dimethylamino)ethyl]-2-thiophenesulfonamide

C8H13BrN2O2S2

结构：C#Cc1cnn2c(C(F)(F)F)cc(-c3cccc(C(F)(F)F)c3)nc12

HCID86608055

未命名化合物

PRODUCTS

生成物

结构：CN(C)CCNS(=O)(=O)c1ccc(C#Cc2cnn3c(C(F)(F)F)cc(-c4cccc(C(F)(F)F)c4)nc23)s1

HCID86608108

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0db985bf39e3436799c7569fe89ce84c
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

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