HRID293609

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

结构：CCc1cc(NC(=O)Oc2ccccc2)cc(-c2nnnn2C)c1

HCID22252693

未命名化合物

HCID178505649

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(NC(=O)N2CC3CCC(N4CCCC(Cc5ccc(F)cc5)C4)C3C2)cc(-c2nnnn2C)c1

HCID11364588

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a6809050d98e488f8cb217157845388d
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

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