HRID213330

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID417391

N,N-Dimethylpiperidin-4-amine

C7H16N2

结构：CS(=O)(=O)CCCOc1cccc2c1ccn2-c1ccnc(NC2CCC(C(=O)O)CC2)n1

HCID58017079

未命名化合物

PRODUCTS

生成物

结构：CN(C)C1CCN(C(=O)C2CCC(Nc3nccc(-n4ccc5c(OCCCS(C)(=O)=O)cccc54)n3)CC2)CC1

HCID59743556

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-28ed3be8d8be48fda5a7b1799861fab8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([n:2]1[cH:3][cH:4][n:5][cH:6]1)([n:7]1[cH:8][cH:9][n:10][cH:11]1)=[O:12].[CH3:13][S:14](=[O:15])(=[O:16])[CH2:17][CH2:18][CH2:19][O:20][c:21]1[c:22]2[cH:23][cH:24][n:25](-[c:30]3[n:31][c:32]([NH:36][CH:37]4[CH2:38][CH2:39][CH:40]([C:43](=[O:44])[OH:45])[CH2:41][CH2:42]4)[n:33][cH:34][cH:35]3)[c:26]2[cH:27][cH:28][cH:29]1.[CH3:46][N:47]([CH3:48])[CH:49]1[CH2:50][CH2:51][NH:52][CH2:53][CH2:54]1.[O:55]=[CH:56][N:57]([CH3:58])[CH3:59]>>[CH3:13][S:14](=[O:15])(=[O:16])[CH2:17][CH2:18][CH2:19][O:20][c:21]1[c:22]2[cH:23][cH:24][n:25](-[c:30]3[n:31][c:32]([NH:36][CH:37]4[CH2:38][CH2:39][CH:40]([C:43](=[O:45])[N:52]5[CH2:51][CH2:50][CH:49]([N:47]([CH3:46])[CH3:48])[CH2:54][CH2:53]5)[CH2:41][CH2:42]4)[n:33][cH:34][cH:35]3)[c:26]2[cH:27][cH:28][cH:29]1