HRID1200708

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID67749

Trifluoromethanesulfonic anhydride

C2F6O5S2

HCID166653

Hydride

H-

结构：COc1c(O)ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(C)C)oc12

HCID11602640

未命名化合物

HCID178493841

未命名化合物

PRODUCTS

生成物

结构：COc1c(OS(=O)(=O)C(F)(F)F)ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(C)C)oc12

HCID86625609

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8006349259594a7a922b60062f22bdc5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:73]([Cl:74])[Cl:75].[CH3:81][N:82]([CH3:83])[c:84]1[cH:85][cH:86][n:87][cH:88][cH:89]1.[Cl:16][c:17]1[cH:18][cH:19][c:20](-[c:23]2[c:24]([CH:37]([CH3:38])[CH3:39])[o:25][c:26]3[c:27]([O:35][CH3:36])[c:28]([O-:34])[cH:29][cH:30][c:31]3[c:32]2=[O:33])[cH:21][cH:22]1.[Cl:41][c:42]1[cH:43][cH:44][c:45](-[c:46]2[c:47](=[O:48])[c:49]3[c:50]([c:51]([O:52][CH3:53])[c:54]([OH:55])[cH:56][cH:57]3)[o:58][c:59]2[CH:60]([CH3:61])[CH3:62])[cH:63][cH:64]1.[F:1][C:2]([S:3](=[O:4])(=[O:5])[O:6][S:7]([C:8]([F:9])([F:10])[F:11])(=[O:12])=[O:13])([F:14])[F:15].[H-:65].[Na+:40].[Na+:66].[O:76]1[CH2:77][CH2:78][CH2:79][CH2:80]1.[cH:67]1[cH:68][cH:69][n:70][cH:71][cH:72]1>>[F:1][C:2]([S:3](=[O:4])(=[O:5])[O:6][c:28]1[c:27]([O:35][CH3:36])[c:26]2[o:25][c:24]([CH:37]([CH3:38])[CH3:39])[c:23](-[c:20]3[cH:19][cH:18][c:17]([Cl:16])[cH:22][cH:21]3)[c:32](=[O:33])[c:31]2[cH:30][cH:29]1)([F:14])[F:15]