HRID125139

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID80366

2,2,2-Trifluoroethyl triflate

C3H2F6O3S

HCID81531

Diisopropylethylamine

C8H19N

结构：Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2NC(=O)OC(C)(C)C)c1N1CCCC(N)CC1

HCID67437388

未命名化合物

PRODUCTS

生成物

结构：Cn1ncc(NC(=O)c2nc(-c3c(F)cccc3F)sc2NC(=O)OC(C)(C)C)c1N1CCCC(NCC(F)(F)F)CC1

HCID89456978

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-461c432353b84e78bc3ecbf8a8021146
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

[CH2:61]([Cl:62])[Cl:63].[CH:52]([N:53]([CH2:54][CH3:55])[CH:56]([CH3:57])[CH3:58])([CH3:59])[CH3:60].[F:39][C:40]([F:41])([F:42])[S:43]([O:44][CH2:45][C:46]([F:47])([F:48])[F:49])(=[O:50])=[O:51].[NH2:1][CH:2]1[CH2:3][CH2:4][N:5]([c:9]2[c:10]([NH:15][C:16](=[O:17])[c:18]3[n:19][c:20](-[c:31]4[c:32]([F:38])[cH:33][cH:34][cH:35][c:36]4[F:37])[s:21][c:22]3[NH:23][C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[cH:11][n:12][n:13]2[CH3:14])[CH2:6][CH2:7][CH2:8]1.[O:64]=[CH:65][N:66]([CH3:67])[CH3:68]>>[NH:1]([CH:2]1[CH2:3][CH2:4][N:5]([c:9]2[c:10]([NH:15][C:16](=[O:17])[c:18]3[n:19][c:20](-[c:31]4[c:32]([F:38])[cH:33][cH:34][cH:35][c:36]4[F:37])[s:21][c:22]3[NH:23][C:24]([O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[cH:11][n:12][n:13]2[CH3:14])[CH2:6][CH2:7][CH2:8]1)[CH2:45][C:46]([F:47])([F:48])[F:49]