HRID2132898

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：NCc1cc(F)ccc1Oc1ccc2c(CN3CCCC3)noc2c1

HCID67409498

未命名化合物

反应SMILES：Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)OCC(F)(F)F)cc1

HCID67410365

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)NCc2cc(F)ccc2Oc2ccc3c(CN4CCCC4)noc3c2)cc1

HCID42642102

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d275ae6d3fed4bfcba1b2e801288729d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

[CH:51]([N:52]([CH:53]([CH3:54])[CH3:55])[CH2:56][CH3:57])([CH3:58])[CH3:59].[F:1][c:2]1[cH:3][cH:4][c:5]([O:10][c:11]2[cH:12][c:13]3[c:14]([c:15]([CH2:18][N:19]4[CH2:20][CH2:21][CH2:22][CH2:23]4)[n:16][o:17]3)[cH:24][cH:25]2)[c:6]([CH2:7][NH2:8])[cH:9]1.[F:26][C:27]([F:28])([F:48])[CH2:49][O:29][C:30]([NH:31][c:32]1[n:33](-[c:41]2[cH:42][cH:43][c:44]([CH3:47])[cH:45][cH:46]2)[n:34][c:35]([C:37]([CH3:38])([CH3:39])[CH3:40])[cH:36]1)=[O:50].[O:60]=[CH:61][N:62]([CH3:63])[CH3:64]>>[F:1][c:2]1[cH:3][cH:4][c:5]([O:10][c:11]2[cH:12][c:13]3[c:14]([c:15]([CH2:18][N:19]4[CH2:20][CH2:21][CH2:22][CH2:23]4)[n:16][o:17]3)[cH:24][cH:25]2)[c:6]([CH2:7][NH:8][C:30](=[O:29])[NH:31][c:32]2[n:33](-[c:41]3[cH:42][cH:43][c:44]([CH3:47])[cH:45][cH:46]3)[n:34][c:35]([C:37]([CH3:38])([CH3:39])[CH3:40])[cH:36]2)[cH:9]1