HRID1538693

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID13396

Benzonitrile, 4-amino-

C7H6N2

HCID166653

Hydride

H-

结构：Cc1cc(C)c(Sc2nc(F)nc3c2ccn3Cc2ccccc2)c(C)c1

HCID57693608

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C)c(Sc2nc(Nc3ccc(C#N)cc3)nc3c2ccn3Cc2ccccc2)c(C)c1

HCID57693570

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5baa587082814b4eaf916a9cd048d0b6
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

[CH2:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[n:19]1[cH:20][cH:21][c:22]2[c:23]1[n:24][c:25]([F:38])[n:26][c:27]2[S:28][c:29]1[c:30]([CH3:37])[cH:31][c:32]([CH3:36])[cH:33][c:34]1[CH3:35].[H-:11].[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1.[Na+:10].[OH2:39]>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1)[c:25]1[n:24][c:23]2[n:19]([CH2:12][c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)[cH:20][cH:21][c:22]2[c:27]([S:28][c:29]2[c:30]([CH3:37])[cH:31][c:32]([CH3:36])[cH:33][c:34]2[CH3:35])[n:26]1