HRID193405

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID79196

Piperazine, 1-ethyl-

C6H14N2

HCID81531

Diisopropylethylamine

C8H19N

HCID59244777

未命名化合物

PRODUCTS

生成物

结构：CCN1CCN(C(=O)c2cc(F)c(NCc3ccc(OC)cc3)c(F)c2)CC1

HCID59244390

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7b5aa606da5c45a4953f63faeb6fc63a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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