HRID105457

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID723

2-Butenedioic acid

C4H4O4

HCID1140

Toluene

C7H8

HCID3283

Diethyl Ether

C4H10O

HCID8471

Triethylamine

C6H15N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID330448

1-(Diphenylmethyl)azetidin-3-ol

C16H17NO

PRODUCTS

生成物

结构：CS(=O)(=O)OC1CN(C(c2ccccc2)c2ccccc2)C1

HCID2758716

1-benzhydrylazetidin-3-yl methanesulfonate

C17H19NO3S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-463858a63a52489599e25a23265cd691
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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