HRID1546155

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID81531

Diisopropylethylamine

C8H19N

HCID118342

(alpha,alpha,alpha-Trifluoro-4-tolyl)acetic acid

C9H7F3O2

HCID66649149

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(=O)n(C(C)C(N)=O)ccc2c1NC(=O)Cc1ccc(C(F)(F)F)cc1

HCID66648886

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4a55f51b936a461795cf996db48e2f88
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

[CH3:43][N:44]([CH3:45])[CH:46]=[O:47].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[F:20][C:21]([c:22]1[cH:23][cH:24][c:25]([CH2:28][C:29](=[O:30])[OH:31])[cH:26][cH:27]1)([F:32])[F:33].[NH2:1][c:2]1[c:3]2[cH:4][cH:5][n:6]([CH:15]([C:16](=[O:17])[NH2:18])[CH3:19])[c:7](=[O:14])[c:8]2[cH:9][cH:10][c:11]1[O:12][CH3:13]>>[NH:1]([c:2]1[c:3]2[cH:4][cH:5][n:6]([CH:15]([C:16](=[O:17])[NH2:18])[CH3:19])[c:7](=[O:14])[c:8]2[cH:9][cH:10][c:11]1[O:12][CH3:13])[C:29]([CH2:28][c:25]1[cH:24][cH:23][c:22]([C:21]([F:20])([F:32])[F:33])[cH:27][cH:26]1)=[O:30]