HRID158178

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID104815

Cuprous ion

Cu+

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

HCID3870744

Methanesulfinate

CH3O2S-

反应SMILES：COc1c(Oc2ccc(Br)cc2F)ncnc1OC1CCN(C(=O)OC(C)C)CC1

HCID68568581

未命名化合物

PRODUCTS

产物

反应SMILES：COc1c(Oc2ccc(S(C)(=O)=O)cc2F)ncnc1OC1CCN(C(=O)OC(C)C)CC1

HCID68570410

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-c14979b896144abb8368638bda7d8117
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

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