HRID1553355

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID8025

Ethyl formate

C3H6O2

HCID119440

1-Hydroxyethyl radical

C2H5O-

结构：Cn1cc(C(=O)Nc2cccc(C(=O)c3ccc4c(c3)NC(=O)C4)c2)c(C(F)(F)F)n1

HCID86610400

未命名化合物

PRODUCTS

生成物

结构：Cn1cc(C(=O)Nc2cccc(C(=O)c3ccc4c(c3)NC(=O)C4=CO)c2)c(C(F)(F)F)n1

HCID178480526

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-482575f35c9447d290bbe4f3a71fd723
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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