HRID696817

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID45098010

未命名化合物

HCID67271653

未命名化合物

PRODUCTS

生成物

结构：Cc1cccnc1CN(Cc1cscc1CN1C(=O)c2ccccc2C1=O)Cc1ncccc1C

HCID67273471

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0072f4fd53bd416fa7e830e5ae45c47b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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