HRID215230

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

HCID11572816

2-iodo-4-(trifluoromethyl)phenol

C7H4F3IO

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

PRODUCTS

生成物

结构：COc1ccc(CN(c2ncns2)S(=O)(=O)c2ccc(Oc3ccc(C(F)(F)F)cc3I)c(C#N)c2)c(OC)c1

HCID59436485

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6f03ef01490a4847b2c77cd14754b987
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:1](#[N:2])[c:3]1[cH:4][c:5]([S:10](=[O:11])(=[O:12])[N:13]([c:14]2[n:15][cH:16][n:17][s:18]2)[CH2:19][c:20]2[c:21]([O:28][CH3:29])[cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]2)[cH:6][cH:7][c:8]1[F:9].[C:30](=[O:31])([O-:32])[O-:33].[CH3:49][S:50]([CH3:51])=[O:52].[I:36][c:37]1[c:38]([OH:47])[cH:39][cH:40][c:41]([C:43]([F:44])([F:45])[F:46])[cH:42]1.[K+:34].[K+:35].[OH2:48]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([S:10](=[O:11])(=[O:12])[N:13]([c:14]2[n:15][cH:16][n:17][s:18]2)[CH2:19][c:20]2[c:21]([O:28][CH3:29])[cH:22][c:23]([O:26][CH3:27])[cH:24][cH:25]2)[cH:6][cH:7][c:8]1[O:47][c:38]1[c:37]([I:36])[cH:42][c:41]([C:43]([F:44])([F:45])[F:46])[cH:40][cH:39]1