HRID1210566

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID3283

Diethyl Ether

C4H10O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID130500

未命名化合物

HCID59202039

未命名化合物

HCID59497869

未命名化合物

PRODUCTS

生成物

结构：C=CCOc1c(C)cc(C(=O)NNC(=O)c2scc(CC(C)C)c2C)cc1C

HCID67351408

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9baff2d95f0b42d0b481aedcf0013edb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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