HRID943787

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID22459

1H-1,2,4-Triazole, 1-methyl-

C3H5N3

HCID32051

Zinc (II) cation

Zn+2

结构：CCC(CC)c1cc(C)nc2c(-c3sc(Br)nc3Br)c(C)nn12

HCID67429550

未命名化合物

HCID178418339

Butyllithium

C4H9Li

PRODUCTS

生成物

结构：CCC(CC)c1cc(C)nc2c(-c3sc(-c4ncnn4C)nc3Br)c(C)nn12

HCID24898976

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-95f4296a4a68411d93dc811a27a7000a
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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