HRID699525

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

结构：CC(C)(C)OC(=O)n1cc(-c2cc(Cl)c(F)cc2O)cn1

HCID59436628

1,1-Dimethylethyl 4-(5-chloro-4-fluoro-2-hydroxyphenyl)-1H-pyrazole-1-carboxylate

C14H14ClFN2O3

PRODUCTS

生成物

结构：COc1ccc(CN(c2ncns2)S(=O)(=O)c2ccc(Oc3cc(F)c(Cl)cc3-c3cnn(C(=O)OC(C)(C)C)c3)c(C#N)c2)c(OC)c1

HCID59436596

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9550a2ef2d144eafb0b8f138299d125a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

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].[Cl:30][c:31]1[c:32]([F:50])[cH:33][c:34]([OH:49])[c:35](-[c:37]2[cH:38][n:39][n:40]([C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[cH:41]2)[cH:36]1>>[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:49][c:34]1[cH:33][c:32]([F:50])[c:31]([Cl:30])[cH:36][c:35]1-[c:37]1[cH:38][n:39][n:40]([C:42](=[O:43])[O:44][C:45]([CH3:46])([CH3:47])[CH3:48])[cH:41]1