HRID2148424

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8471

Triethylamine

C6H15N

HCID11788268

3-(Methylamino)pyrrolidine

C5H12N2

结构：CCN(C)C(=O)c1nc2c(C#N)c(C)c(-c3ccccc3)c(F)c2o1

HCID68585796

未命名化合物

PRODUCTS

生成物

结构：CCN(C)C(=O)c1nc2c(C#N)c(C)c(-c3ccccc3)c(N3CCC(NC)C3)c2o1

HCID178464442

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-51eeba0c00ef470183f5f21c9b6813d3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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