HRID140412

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID679

Dimethyl sulfoxide

C2H6OS

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

结构：FC(F)(F)c1ccc(Oc2cccc(C=C3CCNCC3)c2)nc1

HCID66876162

未命名化合物

HCID178521835

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccc2nn[nH]c2c1)N1CCC(=Cc2cccc(Oc3ccc(C(F)(F)F)cn3)c2)CC1

HCID178521836

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f57bd7ce1b4341e5815169c9695ea1dd
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

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