HRID1549810

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID81531

Diisopropylethylamine

C8H19N

HCID22028201

未命名化合物

结构：Cc1cc(Nc2nc(Nc3cc(C)c(C4CCNCC4)cc3C)ncc2Cl)n[nH]1

HCID58254900

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Nc2nc(Nc3cc(C)c(C4CCN(CC5(C#N)CC5)CC4)cc3C)ncc2Cl)n[nH]1

HCID44612141

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-876b7a4c5f0e4992b5833e7f05553539
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH3:30][c:31]1[cH:32][cH:33][c:34]([S:35]([O:36][CH2:41][C:42]2([C:45]#[N:46])[CH2:43][CH2:44]2)(=[O:37])=[O:38])[cH:39][cH:40]1.[CH3:56][C:57]#[N:58].[CH:47]([N:48]([CH2:49][CH3:50])[CH:51]([CH3:52])[CH3:53])([CH3:54])[CH3:55].[Cl:1][c:2]1[c:3]([NH:23][c:24]2[n:25][nH:26][c:27]([CH3:29])[cH:28]2)[n:4][c:5]([NH:8][c:9]2[c:10]([CH3:22])[cH:11][c:12]([CH:16]3[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]3)[c:13]([CH3:15])[cH:14]2)[n:6][cH:7]1>>[Cl:1][c:2]1[c:3]([NH:23][c:24]2[n:25][nH:26][c:27]([CH3:29])[cH:28]2)[n:4][c:5]([NH:8][c:9]2[c:10]([CH3:22])[cH:11][c:12]([CH:16]3[CH2:17][CH2:18][N:19]([CH2:41][C:42]4([C:45]#[N:46])[CH2:43][CH2:44]4)[CH2:20][CH2:21]3)[c:13]([CH3:15])[cH:14]2)[n:6][cH:7]1