HRID824661

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

结构：Cc1cc(Nc2nccc(C(=O)O)n2)cc(-c2cnc(C(C)(O)C(F)(F)F)s2)c1

HCID58456124

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Nc2nccc(C(=O)N3CCNCC3)n2)cc(-c2cnc(C(C)(O)C(F)(F)F)s2)c1

HCID58456264

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3c60fd2f1fae47898e5ebfb4789788d0
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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