HRID294128

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

4 次

HCID1084

Thiosulfate(2-)

O3S2-2

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID19660

Carbonate

CO3-2

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

结构：COc1ccnc(CSc2nc3c(C)c(OC(F)F)c(C)cc3[nH]2)c1OC

HCID20189584

未命名化合物

PRODUCTS

生成物

结构：COc1ccnc(CS(=O)c2nc3c(C)c(OC(F)F)c(C)cc3[nH]2)c1OC

HCID20189531

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b308bdcc3cb047e8bb3e79a084c400cb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:52]([Cl:53])[Cl:54].[CH3:55][CH2:56][N:57]([CH2:58][CH3:59])[CH2:60][CH3:61].[Cl:1][c:2]1[cH:3][c:4]([C:9](=[O:6])[O:10][OH:11])[cH:5][cH:7][cH:8]1.[F:12][CH:13]([O:14][c:15]1[c:16]([CH3:37])[c:17]2[c:18]([nH:19][c:20]([S:22][CH2:23][c:24]3[n:25][cH:26][cH:27][c:28]([O:32][CH3:33])[c:29]3[O:30][CH3:31])[n:21]2)[cH:34][c:35]1[CH3:36])[F:38].[Na+:39].[Na+:40].[Na+:50].[Na+:51].[O-:41][C:42](=[O:43])[O-:44].[S:45]([O-:46])([O-:47])(=[O:48])=[S:49]>>[O:6]=[S:22]([c:20]1[nH:19][c:18]2[c:17]([c:16]([CH3:37])[c:15]([O:14][CH:13]([F:12])[F:38])[c:35]([CH3:36])[cH:34]2)[n:21]1)[CH2:23][c:24]1[n:25][cH:26][cH:27][c:28]([O:32][CH3:33])[c:29]1[O:30][CH3:31]