HRID113658

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID8117

Diethylene glycol

C4H10O3

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID2736626

2-chloro-6-methyl-4-(trifluoromethyl)pyridine

C7H5ClF3N

HCID2756613

1-benzylpyrrolidin-3-amine

C11H16N2

PRODUCTS

生成物

结构：Cc1cc(C(F)(F)F)cc(NC2CCN(Cc3ccccc3)C2)n1

HCID67442180

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d90ed14053a0438481712994d8300d51
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

[CH2:13]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[N:20]1[CH2:21][CH:22]([NH2:25])[CH2:23][CH2:24]1.[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[Cl:1][c:2]1[n:3][c:4]([CH3:12])[cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1.[OH2:48].[OH:26][CH2:27][CH2:28][O:29][CH2:30][CH2:31][OH:32]>>[c:2]1([NH:25][CH:22]2[CH2:21][N:20]([CH2:13][c:14]3[cH:15][cH:16][cH:17][cH:18][cH:19]3)[CH2:24][CH2:23]2)[n:3][c:4]([CH3:12])[cH:5][c:6]([C:8]([F:9])([F:10])[F:11])[cH:7]1