HRID198190

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID21093469

未命名化合物

HCID21093511

2-(2-Phenylethyl)piperazine

C12H18N2

PRODUCTS

生成物

结构：c1ccc(CCC2CN(C3=Nc4ccccc4Nc4sc(C5CCCC5)nc43)CCN2)cc1

HCID135797730

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13563ca8d1174eed9602731fa2e16398
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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