HRID150201

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID923

Sodium ion

Na+

HCID7761

Diethyl propanedioate

C7H12O4

HCID8028

Tetrahydrofuran

C4H8O

HCID166653

Hydride

H-

结构：Cc1ccc(S(=O)(=O)OC2CN(C(c3ccccc3)c3ccccc3)C2)cc1

HCID15512651

3-Azetidinol, 1-(diphenylmethyl)-, 3-(4-methylbenzenesulfonate)

C23H23NO3S

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-ede579215ccd413fb12b3a5efa255fa3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([CH2:2][C:3](=[O:4])[O:5][CH2:6][CH3:7])(=[O:8])[O:9][CH2:10][CH3:11].[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]([O:31][S:32]([c:33]2[cH:34][cH:35][c:36]([CH3:37])[cH:38][cH:39]2)(=[O:40])=[O:41])[CH2:30]1.[H-:12].[Na+:13].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1.[OH:42][C:43]([CH2:44][C:45]([C:46](=[O:47])[OH:48])([CH2:49][C:50](=[O:51])[OH:52])[OH:53])=[O:54]>>[C:1]([CH:2]([C:3](=[O:4])[O:5][CH2:6][CH3:7])[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:8])[O:9][CH2:10][CH3:11]