HRID2340312

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

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

HCID2758716

1-benzhydrylazetidin-3-yl methanesulfonate

C17H19NO3S

HCID25067323

Methyl 4-hydroxy-2,2-dimethyl-2,3-dihydro-1-benzofuran-6-carboxylate

C12H14O4

PRODUCTS

生成物

结构：COC(=O)c1cc(OC2CN(C(c3ccccc3)c3ccccc3)C2)c2c(c1)OC(C)(C)C2

HCID59559870

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eac657632ada4937b7ebd2e460b039d2
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

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