HRID312309

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID45120888

未命名化合物

结构：Cc1cc(Cl)cnc1CN(Cc1ncccc1C(C)(C)c1ccc(F)cc1)C1CCNCC1

HCID67271611

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Cl)cnc1CN(Cc1ncccc1C(C)(C)c1ccc(F)cc1)C1CCN(C(=O)Nc2ncc[nH]2)CC1

HCID58997138

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-857fa61ef95d40f985c22d132d3335a6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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