HRID2338953

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10997953

Cyclohexanone, 4-(dipropylamino)-

C12H23NO

结构：CN(C)S(=O)(=O)n1ccnc1CN(Cc1nccn1S(=O)(=O)N(C)C)C(=O)c1ccc2c(c1)CCNC2

HCID67500558

未命名化合物

PRODUCTS

生成物

结构：CCCN(CCC)C1CCC(N2CCc3cc(C(=O)N(Cc4nccn4S(=O)(=O)N(C)C)Cc4nccn4S(=O)(=O)N(C)C)ccc3C2)CC1

HCID67502292

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd99a5610c1c4fdda50967db0652622f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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