HRID2346657

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID74281

1H-Indole-7-carboxylic acid

C9H7NO2

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：CC(C)(C)c1ccc(CNCCc2ccc(C(F)(F)F)cc2)cc1

HCID69342584

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(CN(CCc2ccc(C(F)(F)F)cc2)C(=O)c2cccc3cc[nH]c23)cc1

HCID86603066

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c040bf53ad8f4ea9b625cb6d7e037a92
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-:13]([F:14])([F:15])([F:16])[F:17].[C:44]([CH3:45])([CH3:46])([CH3:47])[c:48]1[cH:49][cH:50][c:51]([CH2:52][NH:53][CH2:54][CH2:55][c:56]2[cH:57][cH:58][c:59]([C:62]([F:63])([F:64])[F:65])[cH:60][cH:61]2)[cH:66][cH:67]1.[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[O:68]=[CH:69][N:70]([CH3:71])[CH3:72].[OH2:73].[n:18]1([O:19][C:20]([N:21]([CH3:22])[CH3:23])=[N+:24]([CH3:25])[CH3:26])[c:27]2[cH:28][cH:29][cH:30][cH:31][c:32]2[n:33][n:34]1.[nH:1]1[cH:2][cH:3][c:4]2[cH:5][cH:6][cH:7][c:8]([C:10](=[O:11])[OH:12])[c:9]12>>[nH:1]1[cH:2][cH:3][c:4]2[cH:5][cH:6][cH:7][c:8]([C:10](=[O:12])[N:53]([CH2:52][c:51]3[cH:50][cH:49][c:48]([C:44]([CH3:45])([CH3:46])[CH3:47])[cH:67][cH:66]3)[CH2:54][CH2:55][c:56]3[cH:57][cH:58][c:59]([C:62]([F:63])([F:64])[F:65])[cH:60][cH:61]3)[c:9]12