HRID93805

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID81531

Diisopropylethylamine

C8H19N

HCID123445

1-Aminoindan

C9H11N

结构：COc1ccc(C2OCC3CC(n4ccc5c(S(=O)(=O)Cc6ccccc6)ncnc54)CC3O2)cc1

HCID178489188

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2OCC3CC(n4ccc5c(NC6CCc7ccccc76)ncnc54)CC3O2)cc1

HCID69456199

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bf1a55721d8b4146969aec440dd3a5e9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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