HRID189479

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

结构：CCC(CC)c1cc(C)nn2c(-c3sc(Br)cc3C#N)c(C)nc12

HCID57932902

未命名化合物

HCID178426001

未命名化合物

PRODUCTS

生成物

结构：CCC(CC)c1cc(C)nn2c(-c3sc(-c4cccc(C)n4)cc3C#N)c(C)nc12

HCID57933066

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eae23a6482a44fa2a6b8052eb6e43e2b
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

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