HRID1541491

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

2 次

HCID888

Magnesium cation

Mg+2

HCID3283

Diethyl Ether

C4H10O

HCID3776

Isopropanol

C3H8O

HCID8028

Tetrahydrofuran

C4H8O

HCID8030

Thiophene

C4H4S

HCID13851

Thiophene, 2-bromo-

C4H3BrS

HCID24841

Hydrogen iodide

HCID5462224

Magnesium

结构：CON(C)C(=O)c1nc(C(C)(C)C)c(O)c(C(C)(C)C)n1

HCID10040170

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1nc(C(=O)c2cccs2)nc(C(C)(C)C)c1O

HCID10245342

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8078c6c3bc1e4e739b236220385b0b0a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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