HRID96121

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID7467

1-(4-Chlorophenyl)ethanone

C8H7ClO

HCID8471

Triethylamine

C6H15N

HCID23527

4-Piperidinemethanamine

C6H14N2

HCID2507720

1-(2-bromoethoxy)-3-chlorobenzene

C8H8BrClO

PRODUCTS

生成物

HCID19085434

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fbf4a758b07f4735bd5d17ef4ae88fc7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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