HRID1224305

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID543232

Ethyl 6-(Chloroformyl)hexanoate

C9H15ClO3

结构：CCNc1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncc(N2CCOCC2)cn1

HCID86626810

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CCCCCC(=O)N(CC)c1ccc(C(F)(F)F)cc1CN(Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ncc(N2CCOCC2)cn1

HCID86626817

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1bf34be6b9a4a61b522de9246ca586b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:69]([Cl:70])[Cl:71].[CH3:56][CH2:57][N:58]([CH2:59][CH3:60])[CH2:61][CH3:62].[CH3:63][CH2:64][O:65][C:66](=[O:67])[CH3:68].[Cl:43][C:44](=[O:45])[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][C:51](=[O:52])[O:53][CH2:54][CH3:55].[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][cH:10][c:11]([N:14]3[CH2:15][CH2:16][O:17][CH2:18][CH2:19]3)[cH:12][n:13]2)[CH2:20][c:21]2[c:22]([NH:31][CH2:32][CH3:33])[cH:23][cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]2)[cH:34][c:35]([C:37]([F:38])([F:39])[F:40])[cH:36]1)([F:41])[F:42]>>[F:1][C:2]([c:3]1[cH:4][c:5]([CH2:6][N:7]([c:8]2[n:9][cH:10][c:11]([N:14]3[CH2:15][CH2:16][O:17][CH2:18][CH2:19]3)[cH:12][n:13]2)[CH2:20][c:21]2[c:22]([N:31]([CH2:32][CH3:33])[C:44](=[O:45])[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][C:51](=[O:52])[O:53][CH2:54][CH3:55])[cH:23][cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[cH:26]2)[cH:34][c:35]([C:37]([F:38])([F:39])[F:40])[cH:36]1)([F:41])[F:42]