HRID106916

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID68263

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

C7H6N4O

HCID72879

Methanesulfonamide

CH5NO2S

HCID166653

Hydride

H-

反应SMILES：CCC(CC)(Oc1ccc(Cl)cc1C1CC(=O)NC(c2cc(F)ccc2C)C12C(=O)Nc1cc(Cl)ccc12)C(=O)O

HCID74928567

未命名化合物

PRODUCTS

产物

反应SMILES：CCC(CC)(Oc1ccc(Cl)cc1C1CC(=O)NC(c2cc(F)ccc2C)C12C(=O)Nc1cc(Cl)ccc12)C(=O)NS(C)(=O)=O

HCID74928600

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3b44914a93034b3781bab243c6f02741
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:42]([n:43]1[cH:44][cH:45][n:46][cH:47]1)([n:48]1[cH:49][cH:50][n:51][cH:52]1)=[O:53].[CH3:54][S:55](=[O:56])(=[O:57])[NH2:58].[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:34]2[c:35]([CH3:41])[cH:36][cH:37][c:38]([F:40])[cH:39]2)[NH:13][C:14](=[O:33])[CH2:15][CH:16]1[c:17]1[c:18]([O:24][C:25]([CH2:26][CH3:27])([C:28](=[O:29])[OH:30])[CH2:31][CH3:32])[cH:19][cH:20][c:21]([Cl:23])[cH:22]1.[ClH:61].[H-:60].[Na+:59].[O:62]=[CH:63][N:64]([CH3:65])[CH3:66].[OH2:67]>>[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:34]2[c:35]([CH3:41])[cH:36][cH:37][c:38]([F:40])[cH:39]2)[NH:13][C:14](=[O:33])[CH2:15][CH:16]1[c:17]1[c:18]([O:24][C:25]([CH2:26][CH3:27])([C:28](=[O:29])[NH:58][S:55]([CH3:54])(=[O:56])=[O:57])[CH2:31][CH3:32])[cH:19][cH:20][c:21]([Cl:23])[cH:22]1