HRID2145290

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID79000

Trifluoromethanesulphonyl chloride

CClF3O2S

HCID81531

Diisopropylethylamine

C8H19N

结构：CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4CC)n2)CCNC3)cc1

HCID67178682

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4CC)n2)CCN(S(=O)(=O)C(F)(F)F)C3)cc1

HCID67178215

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f457bfd89e74fa18cf97ecf4c0ca51b
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

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