HRID95030

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID120231

4-Fluorobenzenesulfonamide

C6H6FNO2S

HCID166653

Hydride

H-

结构：Cc1ccc(F)cc1C1NC(=O)CC(c2cc(Cl)ccc2OC2(C(=O)O)CCC2)C12C(=O)Nc1cc(Cl)ccc12

HCID76568153

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(F)cc1C1NC(=O)CC(c2cc(Cl)ccc2OC2(C(=O)NS(=O)(=O)c3ccc(F)cc3)CCC2)C12C(=O)Nc1cc(Cl)ccc12

HCID74928744

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c759e09071e1425e91c174797dd839fa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:41]([n:42]1[cH:43][cH:44][n:45][cH:46]1)([n:47]1[cH:48][cH:49][n:50][cH:51]1)=[O:52].[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:9]([cH:10]1)[NH:8][C:7](=[O:11])[C:6]21[CH:12]([c:33]2[c:34]([CH3:40])[cH:35][cH:36][c:37]([F:39])[cH:38]2)[NH:13][C:14](=[O:32])[CH2:15][CH:16]1[c:17]1[c:18]([O:24][C:25]2([C:29](=[O:30])[OH:31])[CH2:26][CH2:27][CH2:28]2)[cH:19][cH:20][c:21]([Cl:23])[cH:22]1.[F:53][c:54]1[cH:55][cH:56][c:57]([S:60](=[O:61])(=[O:62])[NH2:63])[cH:58][cH:59]1.[H-:65].[Na+:64].[O:66]=[CH:67][N:68]([CH3:69])[CH3:70]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]2[c:9]([cH:10]1)[NH:8][C:7](=[O:11])[C:6]21[CH:12]([c:33]2[c:34]([CH3:40])[cH:35][cH:36][c:37]([F:39])[cH:38]2)[NH:13][C:14](=[O:32])[CH2:15][CH:16]1[c:17]1[c:18]([O:24][C:25]2([C:29](=[O:31])[NH:63][S:60]([c:57]3[cH:56][cH:55][c:54]([F:53])[cH:59][cH:58]3)(=[O:61])=[O:62])[CH2:26][CH2:27][CH2:28]2)[cH:19][cH:20][c:21]([Cl:23])[cH:22]1