HRID195985

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

HCID10633047

未命名化合物

HCID22462841

未命名化合物

PRODUCTS

生成物

结构：CC(n1ccn(-c2ccc(-n3cncn3)cc2)c1=O)C(O)(Cn1cncn1)c1ccccc1F

HCID178462669

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a42eac5570184ac29a17e38cc913f9d9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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