HRID124615

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID5975

Cyanide

CN-

HCID6228

N,N-Dimethylformamide

C3H7NO

结构：Cc1ccc(S(=O)(=O)OC(C)CCc2ccc(-c3ccnc(NC4CC(C)(C)NC(C)(C)C4)n3)cc2)cc1

HCID57936278

未命名化合物

PRODUCTS

生成物

结构：CC(C#N)CCc1ccc(-c2ccnc(NC3CC(C)(C)NC(C)(C)C3)n2)cc1

HCID57936228

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-724d8bfee8bb49daa61d8a513e9214cb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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