HRID682254

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID240

Benzaldehyde

C7H6O

HCID241

Benzene

C6H6

HCID8857

Ethyl acetate

C4H8O2

HCID31268

Pyrrolidine

C4H9N

结构：O=C1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1

HCID2748414

1-tritylpiperidin-4-one

C24H23NO

PRODUCTS

生成物

结构：O=C1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1=Cc1ccccc1

HCID68765714

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-726690fdbfb7433e97793996370dafcc
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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