HRID694261

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID80170

2,5-Pyrrolidinedione, 1-hydroxy-

C4H5NO3

HCID2758248

未命名化合物

HCID66643763

未命名化合物

PRODUCTS

生成物

结构：CCCCc1noc(C)c1C=Cc1nc(C)c(C(=O)N2CC(F)(F)C2)s1

HCID66643680

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cbcd4f13d0124ff8bab83e28afdd07b5
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]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][o:7][c:8]([CH3:21])[c:9]1[CH:10]=[CH:11][c:12]1[s:13][c:14]([C:18](=[O:19])[OH:20])[c:15]([CH3:17])[n:16]1.[CH3:37][CH2:38][N:39]([CH2:40][CH3:41])[CH2:42][CH3:43].[ClH:22].[F:23][C:24]1([F:28])[CH2:25][NH:26][CH2:27]1.[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[OH2:49].[OH:29][N:30]1[C:31](=[O:32])[CH2:33][CH2:34][C:35]1=[O:36]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[n:6][o:7][c:8]([CH3:21])[c:9]1[CH:10]=[CH:11][c:12]1[s:13][c:14]([C:18](=[O:20])[N:26]2[CH2:25][C:24]([F:23])([F:28])[CH2:27]2)[c:15]([CH3:17])[n:16]1