HRID175351

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID6367

Acetyl chloride

C2H3ClO

HCID8028

Tetrahydrofuran

C4H8O

HCID166653

Hydride

H-

结构：Cc1nn(C)c(C)c1C(=O)Nc1ccc(C(C(F)(F)F)C(F)(F)F)c(CC(C)C)c1

HCID86629861

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N(C(=O)c1c(C)nn(C)c1C)c1ccc(C(C(F)(F)F)C(F)(F)F)c(CC(C)C)c1

HCID86629862

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61bae62763e64c749c537b6a00d17e01
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

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