HRID2342597

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8028

Tetrahydrofuran

C4H8O

HCID67957856

未命名化合物

HCID86646343

未命名化合物

PRODUCTS

生成物

结构：CNc1ccc(N2CCC(C(F)(F)F)CC2)cc1NC(=S)Nc1cc(CNC(=O)C(C)(C)C)ccc1Cl

HCID86674333

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a1012db1d37464a8169700b42a094a0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[CH3:1][NH:2][c:3]1[c:4]([NH2:5])[cH:6][c:7]([N:10]2[CH2:11][CH2:12][CH:13]([C:16]([F:17])([F:18])[F:19])[CH2:14][CH2:15]2)[cH:8][cH:9]1.[Cl:20][c:21]1[c:22]([N:35]=[C:36]=[S:37])[cH:23][c:24]([CH2:25][NH:26][C:27]([C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[cH:33][cH:34]1>>[CH3:1][NH:2][c:3]1[c:4]([NH:5][C:36]([NH:35][c:22]2[c:21]([Cl:20])[cH:34][cH:33][c:24]([CH2:25][NH:26][C:27]([C:28]([CH3:29])([CH3:30])[CH3:31])=[O:32])[cH:23]2)=[S:37])[cH:6][c:7]([N:10]2[CH2:11][CH2:12][CH:13]([C:16]([F:17])([F:18])[F:19])[CH2:14][CH2:15]2)[cH:8][cH:9]1