HRID187847

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID6367

Acetyl chloride

C2H3ClO

HCID23994

Zinc

结构：Cn1ncc(Cl)c1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCC(C)(C)[N+](=O)[O-]

HCID67265611

未命名化合物

PRODUCTS

生成物

结构：Cn1ncc(Cl)c1-c1cc(NC(=O)c2cccc(C(F)(F)F)c2)ccc1OCC(C)(C)N

HCID57814739

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-49209122455f43f898100c2dda314385
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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