HRID2149174

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8471

Triethylamine

C6H15N

HCID517856

Pentafluorobenzoic acid, benzyl ester

C14H7F5O2

HCID2757234

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCN(c2c(F)c(F)c(C(=O)OCc3ccccc3)c(F)c2F)C1

HCID87680015

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e97526d29c3b48c69ad307a204ef9c85
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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