HRID702007

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID679

Dimethyl sulfoxide

C2H6OS

HCID4837

Piperazine

C4H10N2

反应SMILES：CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cc(C)cc(C(=O)NCc2ccc(OC)c(-c3cccc(C=O)c3)c2)c1

HCID57813428

未命名化合物

PRODUCTS

产物

反应SMILES：CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cc(C)cc(C(=O)NCc2ccc(OC)c(-c3cccc(CN4CCNCC4)c3)c2)c1

HCID57813334

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5e23b8205f95447abaf74a9dc401f5d6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:50][CH3:51])[c:10]([CH2:19][NH:20][C:21](=[O:22])[c:23]1[cH:24][c:25]([C:30](=[O:31])[NH:32][CH2:33][c:34]3[cH:35][c:36](-[c:42]4[cH:43][c:44]([CH:48]=[O:49])[cH:45][cH:46][cH:47]4)[c:37]([O:40][CH3:41])[cH:38][cH:39]3)[cH:26][c:27]([CH3:29])[cH:28]1)[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1.[CH2:52]1[CH2:53][NH:54][CH2:55][CH2:56][NH:57]1.[CH3:58][C:59](=[O:60])[OH:61].[CH3:62][S:63]([CH3:64])=[O:65]>>[CH2:1]([CH3:2])[n:3]1[n:4][cH:5][c:6]2[c:7]1[n:8][c:9]([CH2:50][CH3:51])[c:10]([CH2:19][NH:20][C:21](=[O:22])[c:23]1[cH:24][c:25]([C:30](=[O:31])[NH:32][CH2:33][c:34]3[cH:35][c:36](-[c:42]4[cH:43][c:44]([CH2:48][N:54]5[CH2:53][CH2:52][NH:57][CH2:56][CH2:55]5)[cH:45][cH:46][cH:47]4)[c:37]([O:40][CH3:41])[cH:38][cH:39]3)[cH:26][c:27]([CH3:29])[cH:28]1)[c:11]2[NH:12][CH:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1