HRID1549604

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID307

3-Phenylprop-2-enal

C9H8O

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID415852

1-Benzyl-4-piperidinylamine

C12H18N2

HCID2734688

Benzenacetyl chloride, 4-methoxy-

C9H9ClO2

PRODUCTS

生成物

结构：COc1ccc(CC(=O)N(CC=Cc2ccccc2)C2CCN(Cc3ccccc3)CC2)cc1

HCID66659302

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-76f8d907542c4f998fcc12d7ecdd7b0a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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