HRID2337906

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID6367

Acetyl chloride

C2H3ClO

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID2761435

未命名化合物

HCID3735558

1-benzhydrylazetidin-3-one

C16H15NO

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OC1(C(c2cc(F)cc(F)c2)S(C)(=O)=O)CN(C(c2ccccc2)c2ccccc2)C1

HCID22506724

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7dbe8a22eefc458582bd9ed292d1bd69
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:1]([Li:2])[CH2:3][CH2:4][CH3:5].[CH3:37][C:38]([Cl:39])=[O:40].[CH3:41][CH2:42][CH2:43][CH2:44][CH2:45][CH3:46].[CH3:55][CH2:56][OH:57].[CH3:6][S:7](=[O:8])(=[O:9])[CH2:10][c:11]1[cH:12][c:13]([F:18])[cH:14][c:15]([F:17])[cH:16]1.[CH:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[N:32]1[CH2:33][C:34](=[O:36])[CH2:35]1.[Cl:52][CH2:53][Cl:54].[O:47]1[CH2:48][CH2:49][CH2:50][CH2:51]1.[OH2:58]>>[CH3:6][S:7](=[O:8])(=[O:9])[CH:10]([c:11]1[cH:12][c:13]([F:18])[cH:14][c:15]([F:17])[cH:16]1)[C:34]1([O:36][C:38]([CH3:37])=[O:40])[CH2:33][N:32]([CH:19]([c:20]2[cH:21][cH:22][cH:23][cH:24][cH:25]2)[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[CH2:35]1