HRID690022

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

结构：CC(C)(C)OC(=O)NC1N=C(c2ccccc2F)c2ccccc2NC1=O

HCID19081122

未命名化合物

HCID21701274

1-[3-(Bromomethyl)thiophen-2-yl]ethan-1-one

C7H7BrOS

PRODUCTS

生成物

结构：CC(=O)c1sccc1CN1C(=O)C(NC(=O)OC(C)(C)C)N=C(c2ccccc2F)c2ccccc21

HCID19081290

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2b4cad0234f24dc5906b4e01b3fe1fe8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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