HRID1234068

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID566323

N,1-Dimethylpiperidin-4-amine

C7H16N2

结构：O=C(Nc1cc(Oc2ccc(NC(=O)C3(C(=O)Nc4ccc(F)cc4)CC3)cc2F)ncn1)Oc1ccccc1

HCID59596966

未命名化合物

PRODUCTS

生成物

结构：CN1CCC(N(C)C(=O)Nc2cc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ncn2)CC1

HCID25026979

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd31c112a776475785f647e3ad48c5cf
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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