HRID1219088

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2776493

4-(4-Methylpiperazino)benzylamine

C12H19N3

结构：COc1cc2c(nc1OC)c(-c1cc3c(C=O)ccnc3n1S(=O)(=O)c1ccc(C)cc1)cn2C

HCID86618635

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(nc1OC)c(-c1cc3c(CNCc4ccc(N5CCN(C)CC5)cc4)ccnc3n1S(=O)(=O)c1ccc(C)cc1)cn2C

HCID68469454

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-923efc94e44d4cd19f184357745b2df8
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

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