HRID99686

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID26255

Tetrafluoroborate

BF4-

HCID69381

Piperidine, 4-methyl-

C6H13N

HCID130500

未命名化合物

结构：Cc1c(C(=O)NC(CCCC(=O)O)c2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)cc1

HCID67025131

未命名化合物

PRODUCTS

生成物

结构：Cc1c(C(=O)NC(CCCC(=O)N2CCC(C)CC2)c2cccc(C(F)(F)F)c2)cnn1-c1ccc(Cl)cc1

HCID75033632

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9e75fa8eb45a488da2f52f6492ade421
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-:41]([F:42])([F:43])([F:44])[F:45].[CH3:34][CH:35]1[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]1.[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][c:11]([C:14](=[O:15])[NH:16][CH:17]([CH2:18][CH2:19][CH2:20][C:21](=[O:22])[OH:23])[c:24]3[cH:25][c:26]([C:30]([F:31])([F:32])[F:33])[cH:27][cH:28][cH:29]3)[c:12]2[CH3:13])[cH:6][cH:7]1.[O:63]=[CH:64][N:65]([CH3:66])[CH3:67].[n:46]1([O:47][C:48]([N:49]([CH3:50])[CH3:51])=[N+:52]([CH3:53])[CH3:54])[c:55]2[cH:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[n:9][cH:10][c:11]([C:14](=[O:15])[NH:16][CH:17]([CH2:18][CH2:19][CH2:20][C:21](=[O:23])[N:38]3[CH2:37][CH2:36][CH:35]([CH3:34])[CH2:40][CH2:39]3)[c:24]3[cH:25][c:26]([C:30]([F:31])([F:32])[F:33])[cH:27][cH:28][cH:29]3)[c:12]2[CH3:13])[cH:6][cH:7]1