HRID285455

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID9125291

未命名化合物

结构：COc1ccc(-c2ccc3cnc(OS(=O)(=O)C(F)(F)F)nn23)cn1

HCID86661684

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2ccc3cnc(Nc4ccc5c(c4)N(S(C)(=O)=O)CCC5)nn23)cn1

HCID66712559

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a09e7986eb424a67a6632b928bd901ec
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][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]3[cH:13][n:14][c:15]([O:18][S:19]([C:20]([F:21])([F:22])[F:23])(=[O:24])=[O:25])[n:16][n:17]23)[cH:7][n:8]1.[CH3:35][S:36](=[O:37])(=[O:38])[N:39]1[CH2:40][CH2:41][CH2:42][c:43]2[cH:44][cH:45][c:46]([NH2:49])[cH:47][c:48]21.[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[CH3:55][CH2:56][O:57][C:58]([CH3:59])=[O:60].[CH:26]([N:27]([CH2:28][CH3:29])[CH:30]([CH3:31])[CH3:32])([CH3:33])[CH3:34]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[cH:10][cH:11][c:12]3[cH:13][n:14][c:15]([NH:49][c:46]4[cH:45][cH:44][c:43]5[c:48]([cH:47]4)[N:39]([S:36]([CH3:35])(=[O:37])=[O:38])[CH2:40][CH2:41][CH2:42]5)[n:16][n:17]23)[cH:7][n:8]1