HRID92960

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate Ion

CO3-2

HCID12994004

5-Bromo-2-methylbenzonitrile

C8H6BrN

HCID66645178

未命名化合物

PRODUCTS

产物

HCID72328345

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-1f89e5f3af0c4d2d966a445149286504
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

[Br:38][c:39]1[cH:40][cH:41][c:42]([CH3:47])[c:43]([C:44]#[N:45])[cH:46]1.[CH3:54][C:55]#[N:56].[NH2:1][C:2]([CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8]([B:11]2[O:12][C:13]([CH3:14])([CH3:15])[C:16]([CH3:17])([CH3:18])[O:19]2)[cH:9][cH:10]1)[NH:20][C:21](=[O:22])[C:23]1([NH:29][C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[CH2:24][CH2:25][O:26][CH2:27][CH2:28]1)=[O:37].[Na+:48].[Na+:49].[O-:50][C:51](=[O:52])[O-:53]>>[NH2:1][C:2]([CH:3]([CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:39]2[cH:40][cH:41][c:42]([CH3:47])[c:43]([C:44]#[N:45])[cH:46]2)[cH:9][cH:10]1)[NH:20][C:21](=[O:22])[C:23]1([NH:29][C:30]([O:31][C:32]([CH3:33])([CH3:34])[CH3:35])=[O:36])[CH2:24][CH2:25][O:26][CH2:27][CH2:28]1)=[O:37]