HRID1148818

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID130500

未命名化合物

HCID45084750

5-Ethynylthiophene-2-carboxylic acid

C7H4O2S

HCID68872425

未命名化合物

PRODUCTS

生成物

结构：C#Cc1ccc(C(=O)NC(COC)C(=O)Nc2ccc(N3CCOCC3=O)c(C)c2)s1

HCID11539473

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1681c39660a649489b956a2bca03cdbd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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