HRID2144796

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID962

Water

H2O

HCID85570

Tosylate

C7H7O3S-

HCID1514430

tert-Butyl 4-formylpiperidine-1-carboxylate

C11H19NO3

HCID4989215

Pyridinium

C5H6N+

HCID21906315

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(C=Nc2ccc(F)cc2C(=O)Nc2ccc(Cl)cn2)CC1

HCID21906169

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c0506c0bc39c476ca3bc08e41ffa778b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH:14]=[O:15])[CH2:12][CH2:13]1.[NH2:16][c:17]1[c:18]([C:19](=[O:20])[NH:21][c:22]2[n:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]2)[cH:29][c:30]([F:33])[cH:31][cH:32]1.[OH2:51].[c:34]1([CH3:35])[cH:36][cH:37][c:38]([S:39]([O-:40])(=[O:41])=[O:42])[cH:43][cH:44]1.[cH:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[nH+:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[N:8]1[CH2:9][CH2:10][CH:11]([CH:14]=[N:16][c:17]2[c:18]([C:19](=[O:20])[NH:21][c:22]3[n:23][cH:24][c:25]([Cl:28])[cH:26][cH:27]3)[cH:29][c:30]([F:33])[cH:31][cH:32]2)[CH2:12][CH2:13]1