HRID932904

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID15413

Methyl tert-butyl ether

C5H12O

HCID19660

Carbonate

CO3-2

结构：COc1ccc(CN(c2ncns2)S(=O)(=O)c2cc(F)c(F)cc2F)c(OC)c1

HCID59436583

N-[(2,4-Dimethoxyphenyl)methyl]-2,4,5-trifluoro-N-(1,2,4-thiadiazol-5-yl)benzene-1-sulfonamide

C17H14F3N3O4S2

结构：CC(C)(C)OC(=O)N1CC(n2nccc2-c2cc(Cl)ccc2O)C1

HCID136063615

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN(c2ncns2)S(=O)(=O)c2cc(F)c(Oc3ccc(Cl)cc3-c3ccnn3C3CN(C(=O)OC(C)(C)C)C3)cc2F)c(OC)c1

HCID59436544

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f7f01a5abc1441ea4dd9089c8219258
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:25](=[O:26])([O-:27])[O-:28].[C:73]([O:74][CH3:75])([CH3:76])([CH3:77])[CH3:78].[CH3:31][O:32][c:33]1[c:34]([CH2:35][N:36]([S:37](=[O:38])(=[O:39])[c:40]2[c:41]([F:48])[cH:42][c:43]([F:47])[c:44]([F:46])[cH:45]2)[c:49]2[n:50][cH:51][n:52][s:53]2)[cH:54][cH:55][c:56]([O:58][CH3:59])[cH:57]1.[CH3:60][CH2:61][O:62][C:63](=[O:64])[CH3:65].[CH3:66][S:67]([CH3:68])=[O:69].[Cl:1][c:2]1[cH:3][cH:4][c:5]([OH:24])[c:6](-[c:8]2[cH:9][cH:10][n:11][n:12]2[CH:13]2[CH2:14][N:15]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:16]2)[cH:7]1.[Cl:70][CH2:71][Cl:72].[K+:29].[K+:30].[OH2:79]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:24][c:43]2[cH:42][c:41]([F:48])[c:40]([S:37]([N:36]([CH2:35][c:34]3[c:33]([O:32][CH3:31])[cH:57][c:56]([O:58][CH3:59])[cH:55][cH:54]3)[c:49]3[n:50][cH:51][n:52][s:53]3)(=[O:38])=[O:39])[cH:45][c:44]2[F:46])[c:6](-[c:8]2[cH:9][cH:10][n:11][n:12]2[CH:13]2[CH2:14][N:15]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:16]2)[cH:7]1