HRID2126934

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID10214510

6-(bromomethyl)quinoxaline

C9H7BrN2

结构：CC(C)(C)c1ccc(-c2cn3c(N4CCNCC4)cccc3n2)cc1

HCID57832787

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(-c2cn3c(N4CCN(Cc5ccc6nccnc6c5)CC4)cccc3n2)cc1

HCID11961306

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cd3e764d19694d32bbcced14c8170642
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:26][CH2:27][c:28]1[cH:29][c:30]2[n:31][cH:32][cH:33][n:34][c:35]2[cH:36][cH:37]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12][c:13]3[n:14]([c:15]([N:19]4[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]4)[cH:16][cH:17][cH:18]3)[cH:25]2)[cH:9][cH:10]1.[CH3:47][S:48]([CH3:49])=[O:50].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[CH:38]([N:39]([CH:40]([CH3:41])[CH3:42])[CH2:43][CH3:44])([CH3:45])[CH3:46]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8](-[c:11]2[n:12][c:13]3[n:14]([c:15]([N:19]4[CH2:20][CH2:21][N:22]([CH2:27][c:28]5[cH:29][c:30]6[n:31][cH:32][cH:33][n:34][c:35]6[cH:36][cH:37]5)[CH2:23][CH2:24]4)[cH:16][cH:17][cH:18]3)[cH:25]2)[cH:9][cH:10]1