HRID158378

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID1047

Pyrazinoic acid

C5H4N2O2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID323719

1-acetylindolin-2-one

C10H9NO2

PRODUCTS

生成物

结构：CC(=O)N1C(=O)C(=C(O)c2cnccn2)c2ccccc21

HCID178473974

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f7904c39923f42c3a030faa790ee1c04
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[B-:23]([F:24])([F:25])([F:26])[F:27].[C:1]([CH3:2])(=[O:3])[N:4]1[C:5](=[O:13])[CH2:6][c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]21.[CH2:45]([N:46]([CH:47]([CH3:48])[CH3:49])[CH:50]([CH3:51])[CH3:52])[CH3:53].[ClH:54].[O:55]=[CH:56][N:57]([CH3:58])[CH3:59].[OH2:60].[n:14]1[c:15]([C:20](=[O:21])[OH:22])[cH:16][n:17][cH:18][cH:19]1.[n:28]1([O:29][C:30]([N:31]([CH3:32])[CH3:33])=[N+:34]([CH3:35])[CH3:36])[c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]2[n:43][n:44]1>>[C:1]([CH3:2])(=[O:3])[N:4]1[C:5](=[O:13])[C:6](=[C:20]([c:15]2[n:14][cH:19][cH:18][n:17][cH:16]2)[OH:21])[c:7]2[cH:8][cH:9][cH:10][cH:11][c:12]21