HRID2331780

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：CN(C)C(On1nnc2ccccc21)=[N+](C)C

HCID130500

未命名化合物

HCID10442498

3H-spiro[2-benzofuran-1,4'-piperidine]

C12H15NO

HCID45121065

6-Chloro-2-methyl-1H-indole-3-carboxylic acid

C10H8ClNO2

PRODUCTS

产物

反应SMILES：Cc1[nH]c2cc(Cl)ccc2c1C(=O)N1CCC2(CC1)OCc1ccccc12

HCID59657535

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-19f7b9fe88f3468e83e247f14ad833c8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

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