HRID2126250

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID7918

Acetic anhydride

C4H6O3

HCID81531

Diisopropylethylamine

C8H19N

HCID84468

Trifluoroacetate

C2F3O2-

结构：COc1cc(NS(=O)(=O)N2CCNCC2)nc(SCc2cccc(F)c2F)n1

HCID11524815

未命名化合物

PRODUCTS

生成物

结构：COc1cc(NS(=O)(=O)N2CCN(C(C)=O)CC2)nc(SCc2cccc(F)c2F)n1

HCID59558810

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-efb16262fc094d4980e1e8cc0e73d0e8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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