HRID106586

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8373

2-Methylbenzoic acid

C8H8O2

HCID26255

Tetrafluoroborate

BF4-

HCID130500

未命名化合物

HCID57748894

未命名化合物

PRODUCTS

生成物

结构：Cc1ccccc1C(=O)N1CCC(Nc2nc3ccc(Cl)cc3o2)C1

HCID68973492

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-99201394613547b4b03ba7ca0a09c6f7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[B-:28]([F:29])([F:30])([F:31])[F:32].[CH3:18][c:19]1[c:20]([C:21](=[O:22])[OH:23])[cH:24][cH:25][cH:26][cH:27]1.[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([NH:9][CH:10]3[CH2:11][NH:12][CH2:13][CH2:14]3)[o:8]2)[cH:15][cH:16]1.[ClH:17].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54].[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>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]([NH:9][CH:10]3[CH2:11][N:12]([C:21]([c:20]4[c:19]([CH3:18])[cH:27][cH:26][cH:25][cH:24]4)=[O:22])[CH2:13][CH2:14]3)[o:8]2)[cH:15][cH:16]1