HRID1538677

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID10898

2-Bromo-1-ethanol

C2H5BrO

结构：CC1=C(C(=O)O)C(c2ccc(C#N)cc2S(C)(=O)=O)NC(=O)N1c1cccc(C(F)(F)F)c1

HCID66601847

未命名化合物

PRODUCTS

生成物

结构：CC1=C(C(=O)OCCO)C(c2ccc(C#N)cc2S(C)(=O)=O)NC(=O)N1c1cccc(C(F)(F)F)c1

HCID162585883

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dbf937bbc1bc4bca88d020c8446e8685
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

[Br:34][CH2:35][CH2:36][OH:37].[C:1](#[N:2])[c:3]1[cH:4][c:5]([S:30](=[O:31])(=[O:32])[CH3:33])[c:6]([CH:9]2[NH:10][C:11](=[O:29])[N:12]([c:19]3[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]3)[C:13]([CH3:18])=[C:14]2[C:15](=[O:16])[OH:17])[cH:7][cH:8]1.[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[O:45]=[CH:46][N:47]([CH3:48])[CH3:49]>>[C:1](#[N:2])[c:3]1[cH:4][c:5]([S:30](=[O:31])(=[O:32])[CH3:33])[c:6]([CH:9]2[NH:10][C:11](=[O:29])[N:12]([c:19]3[cH:20][c:21]([C:25]([F:26])([F:27])[F:28])[cH:22][cH:23][cH:24]3)[C:13]([CH3:18])=[C:14]2[C:15](=[O:16])[O:17][CH2:35][CH2:36][OH:37])[cH:7][cH:8]1