HRID2152885

反应详情

EQUATION

反应方程式

REACTANTS

反应物

反应SMILES：Cc1ccc(-c2cn(CCOC3CCCCO3)nn2)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1Cl

HCID11706669

未命名化合物

反应SMILES：C#Cc1ccc(C)c(C(=O)c2ccc(Nc3ccc(F)cc3F)cc2Cl)c1

HCID58677657

未命名化合物

HCID61342515

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1ccc(-c2cn(CCNS(C)(=O)=O)nn2)cc1C(=O)c1ccc(Nc2ccc(F)cc2F)cc1Cl

HCID11526777

N-[2-(4-{3-[2-Chloro-4-(2,4-difluoro-phenylamino)-benzoyl]-4-methyl-phenyl}-[1,2,3]triazol-1-yl)-ethyl]-methanesulfonamide

C25H22ClF2N5O3S

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7605ec80f865439d92f7b602925da60c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

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