HRID1148198

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID70943

4,6-Dichloropyrimidine

C4H2Cl2N2

HCID81531

Diisopropylethylamine

C8H19N

结构：CCCCN(CC)c1ccc(C(F)(F)F)cc1CNCc1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID86626753

未命名化合物

PRODUCTS

生成物

结构：CCCCN(CC)c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ncn1

HCID86626845

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8d1689f97e574f489896e7bf964ba4f8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH2:43]([N:44]([CH:45]([CH3:46])[CH3:47])[CH:48]([CH3:49])[CH3:50])[CH3:51].[CH3:52][CH2:53][O:54][C:55](=[O:56])[CH3:57].[CH3:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[Cl:35][c:36]1[n:37][cH:38][n:39][c:40]([Cl:42])[cH:41]1.[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][NH:7][CH2:8][c:9]2[c:10]([N:19]([CH2:20][CH3:21])[CH2:22][CH2:23][CH2:24][CH3:25])[cH:11][cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]2)[cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]1)([F:33])[F:34].[OH2:65]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([CH2:8][c:9]2[c:10]([N:19]([CH2:20][CH3:21])[CH2:22][CH2:23][CH2:24][CH3:25])[cH:11][cH:12][c:13]([C:15]([F:16])([F:17])[F:18])[cH:14]2)[c:40]2[n:39][cH:38][n:37][c:36]([Cl:35])[cH:41]2)[cH:26][c:27]([C:29]([F:30])([F:31])[F:32])[cH:28]1)([F:33])[F:34]