HRID108763

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID61140

n-Butyl chloroformate

C5H9ClO2

结构：Nc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1

HCID66849536

未命名化合物

PRODUCTS

生成物

结构：CCCCOC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)nn1

HCID66849865

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d37e2251c80c4e2da4a4e7b24e0100b5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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