HRID2134261

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

结构：COC(=O)c1ccc2c(c1)N(S(=O)(=O)c1ccc(C(C)(C)C)cc1)Cc1ccc(C(F)(F)F)nc1N2

HCID66901654

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1ccc(S(=O)(=O)N2Cc3ccc(C(F)(F)F)nc3Nc3ccc(C(=O)O)cc32)cc1

HCID66901628

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1aa9445dfb9e44fca7d8e237d3085da9
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[N:14]2[CH2:15][c:16]3[c:17]([n:29][c:30]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:32]3)[NH:18][c:19]3[c:20]2[cH:21][c:22]([C:25](=[O:26])[O:27][CH3:28])[cH:23][cH:24]3)[cH:9][cH:10]1.[CH3:41][C:42](=[O:43])[OH:44].[ClH:38].[Na+:40].[OH-:39].[OH2:37]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[N:14]2[CH2:15][c:16]3[c:17]([n:29][c:30]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:32]3)[NH:18][c:19]3[c:20]2[cH:21][c:22]([C:25](=[O:26])[OH:27])[cH:23][cH:24]3)[cH:9][cH:10]1