HRID957629

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID679

Dimethyl sulfoxide

C2H6OS

HCID66056

Piperazine, 2,6-dimethyl-

C6H14N2

结构：CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2ccc(F)c(-c3cccc(C=O)c3)c2)n1

HCID57819371

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cccc(C(=O)NCc2ccc(F)c(-c3cccc(CN4CC(C)NC(C)C4)c3)c2)n1

HCID178437511

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0cfb478f79134bd591e27e318ce983fd
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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