HRID165586

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8857

Ethyl acetate

C4H8O2

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

HCID89028

1-(Chloromethyl)-2-(trifluoromethyl)benzene

C8H6ClF3

HCID66849322

未命名化合物

PRODUCTS

生成物

结构：CC(C)CCNC(=O)c1ccc(N2CCN(Cc3ccccc3C(F)(F)F)CC2)nn1

HCID16733788

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e40b2759a8554699ada815634244ac1c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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