HRID2316648

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID9526

Methyl trifluoromethanesulfonate

C2H3F3O3S

HCID21093465

未命名化合物

HCID21093511

2-(2-Phenylethyl)piperazine

C12H18N2

PRODUCTS

生成物

结构：CCCCc1nc2c(s1)Nc1ccccc1N=C2N1CCNC(CCc2ccccc2)C1

HCID136464465

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd4debe6c1c1421daf7980dfe9286073
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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