查数据/反应详情

HRID2143851

反应详情

EQUATION

反应方程式

HRID 2143851 的结构方程式

REACTANTS

反应物

3

结构：CCO

Ethanol

C2H6O

结构：CCN(CC)CC

Triethylamine

C6H15N

结构：CCOC(=O)c1c(C(F)(F)F)nc(C(F)(F)Cl)c(C(=O)OC)c1N1CC1C

未命名化合物

PRODUCTS

生成物

1

结构：CCOC(=O)c1c(C(F)(F)F)nc(C(F)F)c(C(=O)OC)c1N1CC1C

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5436ee9273494f1c9641a71a146c093a
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

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

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