HRID1571372

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7761

Diethyl propanedioate

C7H12O4

HCID166653

Hydride

H-

结构：Cc1ccc(S(=O)(=O)C2CN(C(c3ccccc3)c3ccccc3)C2)cc1

HCID67112611

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(C(=O)OCC)C1CN(C(c2ccccc2)c2ccccc2)C1

HCID11132697

Diethyl (1-benzhydryl-3-azetidinyl)malonate

C23H27NO4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a486214beded48f6b8dac89a92817f73
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

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