HRID134415

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID241

Benzene

C6H6

HCID679

Dimethyl sulfoxide

C2H6OS

HCID962

Water

H2O

HCID8070

N,N'-Dimethylethane-1,2-diamine

C4H12N2

HCID8857

Ethyl acetate

C4H8O2

HCID27099

Copper(2+)

Cu+2

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

2 次

HCID3857574

Benzenesulfinate

C6H5O2S-

结构：CC(=O)OC1CSC(Oc2cncc(I)c2)C(OC(C)=O)C1OC(C)=O

HCID178475743

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OC1CSC(Oc2cncc(S(=O)(=O)c3ccccc3)c2)C(OC(C)=O)C1OC(C)=O

HCID178475746

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b3b73f8660f4542ae3fc3013041d5c1
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]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([O:7][c:8]2[cH:9][n:10][cH:11][c:12]([I:14])[cH:13]2)[S:15][CH2:16][CH:17]([O:23][C:24]([CH3:25])=[O:26])[CH:18]1[O:19][C:20]([CH3:21])=[O:22].[CH3:27][S:28]([CH3:29])=[O:30].[CH3:40][NH:41][CH2:42][CH2:43][NH:44][CH3:45].[CH3:69][CH2:70][O:71][C:72](=[O:73])[CH3:74].[Cu+2:54].[F:46][C:47]([F:48])([F:49])[S:50]([O-:51])(=[O:52])=[O:53].[F:61][C:62]([F:63])([F:64])[S:65]([O-:66])(=[O:67])=[O:68].[OH2:75].[c:31]1([S:37](=[O:38])[O-:39])[cH:32][cH:33][cH:34][cH:35][cH:36]1.[cH:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH:5]1[CH:6]([O:7][c:8]2[cH:9][n:10][cH:11][c:12]([S:37]([c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)(=[O:38])=[O:39])[cH:13]2)[S:15][CH2:16][CH:17]([O:23][C:24]([CH3:25])=[O:26])[CH:18]1[O:19][C:20]([CH3:21])=[O:22]