HRID144654

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID66056

Piperazine, 2,6-dimethyl-

C6H14N2

反应SMILES：CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)CCCC(=O)NCc1ccc(F)c(-c2cccc(C=O)c2)c1

HCID57819891

未命名化合物

PRODUCTS

产物

反应SMILES：CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)CCCC(=O)NCc1ccc(F)c(-c2cccc(CN3CC(C)NC(C)C3)c2)c1

HCID44241744

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7848acb1ad78490cbe1533144ef43b41
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

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