HRID1237762

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID712

Formaldehyde

CH2O

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID498716

未命名化合物

结构：CCN(CC=CC#CC(C)(C)C)Cc1cccc(NCc2cccc(-c3ccsc3)c2)c1

HCID53919606

未命名化合物

PRODUCTS

生成物

结构：CCN(CC=CC#CC(C)(C)C)Cc1cccc(N(C)Cc2cccc(-c3ccsc3)c2)c1

HCID178463960

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2efdd17365ea460c982dfd4251213b5e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:35]([BH3-:36])#[N:37].[CH2:33]=[O:34].[CH3:1][C:2]([C:3]#[C:4][CH:5]=[CH:6][CH2:7][N:8]([CH2:9][CH3:10])[CH2:11][c:12]1[cH:13][c:14]([NH:18][CH2:19][c:20]2[cH:21][c:22](-[c:26]3[cH:27][s:28][cH:29][cH:30]3)[cH:23][cH:24][cH:25]2)[cH:15][cH:16][cH:17]1)([CH3:31])[CH3:32].[CH3:39][C:40]#[N:41].[Na+:38]>>[CH3:1][C:2]([C:3]#[C:4][CH:5]=[CH:6][CH2:7][N:8]([CH2:9][CH3:10])[CH2:11][c:12]1[cH:13][c:14]([N:18]([CH2:19][c:20]2[cH:21][c:22](-[c:26]3[cH:27][s:28][cH:29][cH:30]3)[cH:23][cH:24][cH:25]2)[CH3:35])[cH:15][cH:16][cH:17]1)([CH3:31])[CH3:32]