HRID145375

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3776

Isopropanol

C3H8O

HCID18462

DL-10-Camphorsulfonic acid

C10H16O4S

结构：CN(C)S(=O)(=O)c1ccccc1Nc1nc(Cl)ncc1Cl

HCID46738287

未命名化合物

HCID57416136

7-(Morpholin-4-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-amine

C15H22N2O

PRODUCTS

生成物

结构：CN(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2ccc3c(c2)CCC(N2CCOCC2)CC3)ncc1Cl

HCID66830574

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-08a276a584f74bf99730b457ef238236
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:40]12([CH2:41][S:42]([OH:43])(=[O:44])=[O:45])[C:46]([CH3:47])([CH3:48])[CH:49]([CH2:50][CH2:51]1)[CH2:52][C:53]2=[O:54].[CH:55]([OH:56])([CH3:57])[CH3:58].[Cl:19][c:20]1[n:21][cH:22][c:23]([Cl:39])[c:24]([NH:26][c:27]2[c:28]([S:33](=[O:34])(=[O:35])[N:36]([CH3:37])[CH3:38])[cH:29][cH:30][cH:31][cH:32]2)[n:25]1.[O:1]1[CH2:2][CH2:3][N:4]([CH:7]2[CH2:8][CH2:9][c:10]3[c:11]([cH:14][c:15]([NH2:18])[cH:16][cH:17]3)[CH2:12][CH2:13]2)[CH2:5][CH2:6]1>>[O:1]1[CH2:2][CH2:3][N:4]([CH:7]2[CH2:8][CH2:9][c:10]3[c:11]([cH:14][c:15]([NH:18][c:20]4[n:21][cH:22][c:23]([Cl:39])[c:24]([NH:26][c:27]5[c:28]([S:33](=[O:34])(=[O:35])[N:36]([CH3:37])[CH3:38])[cH:29][cH:30][cH:31][cH:32]5)[n:25]4)[cH:16][cH:17]3)[CH2:12][CH2:13]2)[CH2:5][CH2:6]1