HRID2126693

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2776458

4-Morpholinobenzylamine

C11H16N2O

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(N5CCOCC5)cc4)ccnc3n1S(=O)(=O)c1ccc(C)cc1)cn2C

HCID68468333

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-94c8719678f74714b956b6e8ca58eba4
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

[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].[O:36]1[CH2:37][CH2:38][N:39]([c:42]2[cH:43][cH:44][c:45]([CH2:46][NH2:47])[cH:48][cH:49]2)[CH2:40][CH2:41]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:47][CH2:46][c:45]3[cH:44][cH:43][c:42]([N:39]4[CH2:38][CH2:37][O:36][CH2:41][CH2:40]4)[cH:49][cH:48]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]