HRID197174

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID558578

Octahydropyrrolo(1,2-a)pyrazine

C7H14N2

HCID581853

4-Amino-3-chloropyridine

C5H5ClN2

HCID25210997

未命名化合物

PRODUCTS

生成物

结构：Cc1c(-c2ccc(C(=O)N3CCN4CCCC4C3)s2)noc1C(F)(F)F

HCID70275232

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f8757d4f0a2a4246b993199972d36c76
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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