HRID174579

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID6340

Ethane, iodo-

C2H5I

HCID19660

Carbonate

CO3-2

结构：COC(=O)COc1ccc(NCc2sc(-c3ccc(C(F)(F)F)cc3)nc2C)cc1C

HCID69220462

未命名化合物

PRODUCTS

生成物

结构：CCN(Cc1sc(-c2ccc(C(F)(F)F)cc2)nc1C)c1ccc(OCC(=O)OC)c(C)c1

HCID69217996

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ed39bfed9efd4cd5b758fae91541ee85
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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