HRID827163

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID81531

Diisopropylethylamine

C8H19N

HCID7537610

1-{4-[(4-Methylpiperazin-1-yl)methyl]phenyl}methanamine

C13H21N3

结构：CNC(=O)c1cc(Oc2ccc3nc(S(C)=O)sc3c2)ccn1

HCID57725393

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1cc(Oc2ccc3nc(NCc4ccc(CN5CCN(C)CC5)cc4)sc3c2)ccn1

HCID57725947

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-299d10a03dbd4e3e98283682c16b5cbe
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:1][NH:2][C:3]([c:4]1[cH:5][c:6]([O:10][c:11]2[cH:12][c:13]3[c:14]([n:15][c:16]([S:18]([CH3:19])=[O:20])[s:17]3)[cH:21][cH:22]2)[cH:7][cH:8][n:9]1)=[O:23].[CH3:24][N:25]1[CH2:26][CH2:27][N:28]([CH2:31][c:32]2[cH:33][cH:34][c:35]([CH2:38][NH2:39])[cH:36][cH:37]2)[CH2:29][CH2:30]1.[CH3:49][N:50]1[CH2:51][CH2:52][CH2:53][C:54]1=[O:55].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48]>>[CH3:1][NH:2][C:3]([c:4]1[cH:5][c:6]([O:10][c:11]2[cH:12][c:13]3[c:14]([n:15][c:16]([NH:39][CH2:38][c:35]4[cH:34][cH:33][c:32]([CH2:31][N:28]5[CH2:27][CH2:26][N:25]([CH3:24])[CH2:30][CH2:29]5)[cH:37][cH:36]4)[s:17]3)[cH:21][cH:22]2)[cH:7][cH:8][n:9]1)=[O:23]