HRID94557

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

结构：CCOC(=O)c1ccc2c(C(=O)NCc3ccc(F)c(F)c3)c(C(C)C)n(Cc3ccccn3)c2c1

HCID44234002

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2ccc(C(=O)O)cc2n1Cc1ccccn1

HCID69228281

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2288abf84da0472485ff907414f2a241
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

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