HRID1545274

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID9321

Hydrazine

H4N2

结构：CC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCN(C(=O)Cl)c2cc(Cl)ccc21

HCID86616083

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCN(C(=O)NN)c2cc(Cl)ccc21

HCID86616087

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7155d15be5594343970b386393bc9d2b
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

[C:1]([CH3:2])(=[O:3])[N:4]([CH:5]1[c:6]2[c:7]([cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[N:8]([C:12](=[O:13])[Cl:14])[CH2:9][CH2:10][CH2:11]1)[CH2:20][c:21]1[cH:22][c:23]([C:31]([F:32])([F:33])[F:34])[cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]1.[CH3:38][CH2:39][O:40][C:41]([CH3:42])=[O:43].[CH3:44][OH:45].[NH2:36][NH2:37].[OH2:35]>>[C:1]([CH3:2])(=[O:3])[N:4]([CH:5]1[c:6]2[c:7]([cH:15][c:16]([Cl:19])[cH:17][cH:18]2)[N:8]([C:12](=[O:13])[NH:36][NH2:37])[CH2:9][CH2:10][CH2:11]1)[CH2:20][c:21]1[cH:22][c:23]([C:31]([F:32])([F:33])[F:34])[cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]1