HRID212349

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

HCID19660

Carbonate

CO3-2

结构：COc1ccc(CN(c2ncns2)S(=O)(=O)c2ccc(F)c(C#N)c2)c(OC)c1

HCID58042254

3-Cyano-N-[(2,4-dimethoxyphenyl)methyl]-4-fluoro-N-1,2,4-thiadiazol-5-ylbenzenesulfonamide

C18H15FN4O4S2

HCID135741697

2-(4-Pyridazinyl)-4-(trifluoromethyl)phenol

C11H7F3N2O

PRODUCTS

生成物

结构：COc1ccc(CN(c2ncns2)S(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3-c3ccnnc3)c(C#N)c2)c(OC)c1

HCID59436601

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b061bd6ec0df4040a2ea5886b0a222b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:18](#[N:19])[c:20]1[cH:21][c:22]([S:27](=[O:28])(=[O:29])[N:30]([c:31]2[n:32][cH:33][n:34][s:35]2)[CH2:36][c:37]2[c:38]([O:45][CH3:46])[cH:39][c:40]([O:43][CH3:44])[cH:41][cH:42]2)[cH:23][cH:24][c:25]1[F:26].[C:47](=[O:48])([O-:49])[O-:50].[CH3:54][S:55]([CH3:56])=[O:57].[K+:51].[K+:52].[OH2:53].[n:1]1[n:2][cH:3][c:4](-[c:7]2[c:8]([OH:17])[cH:9][cH:10][c:11]([C:13]([F:14])([F:15])[F:16])[cH:12]2)[cH:5][cH:6]1>>[n:1]1[n:2][cH:3][c:4](-[c:7]2[c:8]([O:17][c:25]3[c:20]([C:18]#[N:19])[cH:21][c:22]([S:27](=[O:28])(=[O:29])[N:30]([c:31]4[n:32][cH:33][n:34][s:35]4)[CH2:36][c:37]4[c:38]([O:45][CH3:46])[cH:39][c:40]([O:43][CH3:44])[cH:41][cH:42]4)[cH:23][cH:24]3)[cH:9][cH:10][c:11]([C:13]([F:14])([F:15])[F:16])[cH:12]2)[cH:5][cH:6]1