HRID194658

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID7937

2,6-Dimethylpyridine

C7H9N

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID28486

Lithium ion

Li+

HCID81560

Methanesulfonic acid, 1,1'-anhydride

C2H6O5S2

结构：CCc1nc2c(C)cc(C)nc2n1Cc1ccc2c(c1)CCc1ccccc1C2=CC#N

HCID53855176

未命名化合物

PRODUCTS

生成物

HCID67210775

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cc66eb1001ec4ff9a5f597d50a42070c
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-:42].[CH2:1]([c:2]1[n:3]([CH2:14][c:15]2[cH:16][c:17]3[c:18]([cH:31][cH:32]2)[C:19](=[CH:28][C:29]#[N:30])[c:20]2[c:21]([cH:24][cH:25][cH:26][cH:27]2)[CH2:22][CH2:23]3)[c:4]2[n:5][c:6]([CH3:7])[cH:8][c:9]([CH3:10])[c:11]2[n:12]1)[CH3:13].[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[CH3:43][S:44]([O:45][S:46]([CH3:47])(=[O:48])=[O:49])(=[O:50])=[O:51].[CH3:57][CH2:58][CH2:59][CH2:60][CH2:61][CH3:62].[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[Li+:41].[n:33]1[c:34]([CH3:35])[cH:36][cH:37][cH:38][c:39]1[CH3:40]>>[CH2:14]([c:15]1[cH:16][c:17]2[c:18]([cH:31][cH:32]1)[C:19](=[CH:28][C:29]#[N:30])[c:20]1[c:21]([cH:24][cH:25][cH:26][cH:27]1)[CH2:22][CH2:23]2)[Br:42]