HRID2332151

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

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

HCID4913063

1-Methyl-1H-benzimidazole-5-carboxylic acid

C9H8N2O2

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)c2ccc3c(c2)ncn3C)c2ccc(Cl)cc21

HCID178473956

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-464deb55b6a04252a475a73eb3526134
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-:28]([F:29])([F:30])([F:31])[F:32].[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.[CH2:50]([N:51]([CH:52]([CH3:53])[CH3:54])[CH:55]([CH3:56])[CH3:57])[CH3:58].[CH3:15][n:16]1[cH:17][n:18][c:19]2[c:20]1[cH:21][cH:22][c:23]([C:25](=[O:26])[OH:27])[cH:24]2.[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH2:64].[n:33]1([O:34][C:35]([N:36]([CH3:37])[CH3:38])=[N+:39]([CH3:40])[CH3:41])[c:42]2[cH:43][cH:44][cH:45][cH:46][c:47]2[n:48][n:49]1>>[C:1]([CH3:2])(=[O:3])[N:4]1[C:5](=[O:14])[C:6](=[C:25]([c:23]2[cH:22][cH:21][c:20]3[n:16]([CH3:15])[cH:17][n:18][c:19]3[cH:24]2)[OH:26])[c:7]2[cH:8][cH:9][c:10]([Cl:13])[cH:11][c:12]21