HRID816118

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID679

Dimethyl sulfoxide

C2H6OS

HCID53167

1-Methylpiperazine

C5H12N2

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

HCID57813273

未命名化合物

PRODUCTS

产物

反应SMILES：CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)c1cc(C)cc(C(=O)NCc2ccc(F)c(-c3cccc(CN4CCN(C)CC4)c3)c2)c1

HCID57813402

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-62721aacf77c48e4b7dc33f3f98b852c
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test 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]([CH2:49][CH3:50])[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:41]4[cH:42][c:43]([CH:47]=[O:48])[cH:44][cH:45][cH:46]4)[c:37]([F:40])[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.[CH3:51][N:52]1[CH2:53][CH2:54][NH:55][CH2:56][CH2:57]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]([CH2:49][CH3:50])[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:41]4[cH:42][c:43]([CH2:47][N:55]5[CH2:54][CH2:53][N:52]([CH3:51])[CH2:57][CH2:56]5)[cH:44][cH:45][cH:46]4)[c:37]([F:40])[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