HRID1231063

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID69719

3-(Benzylamino)propionitrile

C10H12N2

结构：Cc1ccc(N(CC(=O)O)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1

HCID58978369

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(N(CC(=O)N(CCC#N)Cc2ccccc2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1

HCID58978395

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a73d4ff56425475ea8d71fe09e3b9c40
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:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[N:14]([c:15]2[cH:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]2)[CH2:22][C:23](=[O:24])[OH:25])[cH:9][cH:10]1.[CH2:26]([c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1)[NH:33][CH2:34][CH2:35][C:36]#[N:37]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[N:14]([c:15]2[cH:16][cH:17][c:18]([CH3:21])[cH:19][cH:20]2)[CH2:22][C:23](=[O:25])[N:33]([CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[CH2:34][CH2:35][C:36]#[N:37])[cH:9][cH:10]1