HRID2161009

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID46870328

(Azetidin-1-yl)(5-chloropyrazin-2-yl)methanone

C8H8ClN3O

HCID67274118

未命名化合物

PRODUCTS

生成物

结构：COCC(C)Oc1cc(Oc2cnc(C(=O)N3CCC3)cn2)cc(C(=O)OC)c1

HCID75274609

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ffdce78ae5fa43e39b5f75ead2bbe314
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:31](=[O:32])([O-:33])[O-:34].[CH3:37][S:38]([CH3:39])=[O:40].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[Cs+:35].[Cs+:36].[N:18]1([C:22](=[O:23])[c:24]2[n:25][cH:26][c:27]([Cl:30])[n:28][cH:29]2)[CH2:19][CH2:20][CH2:21]1.[OH2:41].[OH:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][c:10]([O:12][CH:13]([CH2:14][O:15][CH3:16])[CH3:17])[cH:11]1>>[O:1]([c:2]1[cH:3][c:4]([C:5](=[O:6])[O:7][CH3:8])[cH:9][c:10]([O:12][CH:13]([CH2:14][O:15][CH3:16])[CH3:17])[cH:11]1)[c:27]1[cH:26][n:25][c:24]([C:22]([N:18]2[CH2:19][CH2:20][CH2:21]2)=[O:23])[cH:29][n:28]1