HRID1543476

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID3051544

未命名化合物

HCID58828797

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2nocc2C(=O)N2CCC(O)(c3ccccc3Cl)C2)cc1

HCID59170197

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bc05e7877c054c308657282f1f21c501
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[B-:15]([F:16])([F:17])([F:18])[F:19].[CH2:37]([N:38]([CH:39]([CH3:40])[CH3:41])[CH:42]([CH3:43])[CH3:44])[CH3:45].[CH3:46][c:47]1[cH:48][cH:49][c:50](-[c:53]2[n:54][o:55][cH:56][c:57]2[C:58](=[O:59])[OH:60])[cH:51][cH:52]1.[Cl:2][c:3]1[c:4]([C:9]2([OH:14])[CH2:10][NH:11][CH2:12][CH2:13]2)[cH:5][cH:6][cH:7][cH:8]1.[ClH:1].[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[n:20]1([O:21][C:22]([N:23]([CH3:24])[CH3:25])=[N+:26]([CH3:27])[CH3:28])[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2[n:35][n:36]1>>[Cl:2][c:3]1[c:4]([C:9]2([OH:14])[CH2:10][N:11]([C:58]([c:57]3[c:53](-[c:50]4[cH:49][cH:48][c:47]([CH3:46])[cH:52][cH:51]4)[n:54][o:55][cH:56]3)=[O:59])[CH2:12][CH2:13]2)[cH:5][cH:6][cH:7][cH:8]1