HRID678935

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

HCID5922

Isonicotinic acid

C6H5NO2

HCID6228

Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID26255

Tetrafluoroborate

BF4-

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

HCID130500

未命名化合物

HCID11644161

1-Acetyl-6-chloro-1,3-dihydro-2H-indol-2-one

C10H8ClNO2

PRODUCTS

产物

反应SMILES：CC(=O)N1C(=O)C(=C(O)c2ccncc2)c2ccc(Cl)cc21

HCID178473973

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-55256c6949a84aefa8540c56d4b372e3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

[B-:24]([F:25])([F:26])([F:27])[F:28].[C:1]([CH3:2])(=[O:3])[N:4]1[C:5](=[O:14])[CH2:6][c:7]2[cH:8][cH:9][c:10]([Cl:13])[cH:11][c:12]21.[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[CH3:58][C:59](=[O:60])[OH:61].[O:53]=[CH:54][N:55]([CH3:56])[CH3:57].[OH2:62].[OH:15][C:16](=[O:17])[c:18]1[cH:19][cH:20][n:21][cH:22][cH:23]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>>[C:1]([CH3:2])(=[O:3])[N:4]1[C:5](=[O:14])[C:6](=[C:16]([OH:15])[c:18]2[cH:19][cH:20][n:21][cH:22][cH:23]2)[c:7]2[cH:8][cH:9][c:10]([Cl:13])[cH:11][c:12]21