HRID210246

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID7972

4-Methylmorpholine

C5H11NO

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID130500

未命名化合物

HCID217958

3,4-Dichlorophenethylamine

C8H9Cl2N

HCID10774153

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(C(=O)NCCc2ccc(Cl)c(Cl)c2)nc1

HCID67017702

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-090708e44d824881a97fa3271fbe6b6d
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

[CH2:59]1[O:60][CH2:61][CH2:62][CH2:63]1.[CH3:28][N:29]1[CH2:30][CH2:31][O:32][CH2:33][CH2:34]1.[CH3:3][O:4][C:5](=[O:6])[c:7]1[n:8][cH:9][c:10]([C:13]([CH3:14])([CH3:15])[CH3:16])[cH:11][cH:12]1.[Cl:17][c:18]1[cH:19][c:20]([CH2:25][CH2:26][NH2:27])[cH:21][cH:22][c:23]1[Cl:24].[K+:2].[OH-:1].[P-:35]([F:36])([F:37])([F:38])([F:39])([F:40])[F:41].[n:42]1([O:43][C:44]([N:45]([CH3:46])[CH3:47])=[N+:48]([CH3:49])[CH3:50])[c:51]2[cH:52][cH:53][cH:54][cH:55][c:56]2[n:57][n:58]1>>[C:5](=[O:6])([c:7]1[n:8][cH:9][c:10]([C:13]([CH3:14])([CH3:15])[CH3:16])[cH:11][cH:12]1)[NH:27][CH2:26][CH2:25][c:20]1[cH:19][c:18]([Cl:17])[c:23]([Cl:24])[cH:22][cH:21]1