HRID139864

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID8028

Tetrahydrofuran

C4H8O

HCID81531

Diisopropylethylamine

C8H19N

HCID4086223

未命名化合物

结构：COC(=O)c1ccc(Nc2nc(Cl)nc(OCC(F)(F)F)n2)cc1

HCID86652469

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(Nc2nc(NCCCCCCCCNC(=O)OC(C)(C)C)nc(OCC(F)(F)F)n2)cc1

HCID67073817

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd531a6b0bf14570a51324466a43cc1d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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