HRID2347798

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

HCID166653

Hydride

H-

HCID15765418

Cyclopropanesulfonamide

C3H7NO2S

反应SMILES：Cc1ccc(F)cc1C1NC(=O)CC(c2cc(Cl)ccc2OC(C)(C)C(=O)O)C12C(=O)Nc1cc(Cl)ccc12

HCID76568015

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1ccc(F)cc1C1NC(=O)CC(c2cc(Cl)ccc2OC(C)(C)C(=O)NS(=O)(=O)C2CC2)C12C(=O)Nc1cc(Cl)ccc12

HCID74928539

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0fb765bce7cd4fdbb341452ae000c497
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[C:40]([n:41]1[cH:42][cH:43][n:44][cH:45]1)([n:46]1[cH:47][cH:48][n:49][cH:50]1)=[O:51].[CH:52]1([S:55](=[O:56])(=[O:57])[NH2:58])[CH2:53][CH2:54]1.[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:32]2[c:33]([CH3:39])[cH:34][cH:35][c:36]([F:38])[cH:37]2)[NH:13][C:14](=[O:31])[CH2:15][CH:16]1[c:17]1[c:18]([O:24][C:25]([CH3:26])([CH3:27])[C:28](=[O:29])[OH:30])[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:32]2[c:33]([CH3:39])[cH:34][cH:35][c:36]([F:38])[cH:37]2)[NH:13][C:14](=[O:31])[CH2:15][CH:16]1[c:17]1[c:18]([O:24][C:25]([CH3:26])([CH3:27])[C:28](=[O:29])[NH:58][S:55]([CH:52]2[CH2:53][CH2:54]2)(=[O:56])=[O:57])[cH:19][cH:20][c:21]([Cl:23])[cH:22]1