HRID206334

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8471

Triethylamine

C6H15N

HCID537575

2,2,2-Trifluoro-N-(pyrrolidin-3-YL)acetamide

C6H9F3N2O

结构：C=Cn1cc(C(=O)OCC)c(=O)c2cc(F)c(Cl)nc21

HCID13135046

未命名化合物

PRODUCTS

生成物

结构：C=Cn1cc(C(=O)OCC)c(=O)c2cc(F)c(N3CCC(NC(=O)C(F)(F)F)C3)nc21

HCID13135050

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a5ff26719874fd2ae7f54c3a94d3fc6
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

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