HRID826846

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID313

Hydrochloric Acid

ClH

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID2724904

5-BROMO-2-FLUOROBENZYLAMINE

C7H7BrFN

结构：O=C(O)Cn1nc(-c2ccc(Cl)cc2)n(C2CC2)c1=O

HCID42632357

未命名化合物

PRODUCTS

生成物

结构：O=C(Cn1nc(-c2ccc(Cl)cc2)n(C2CC2)c1=O)NCc1cc(Br)ccc1F

HCID58012165

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-778742d3be66440dabd44ce95801a896
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

[Br:22][c:23]1[cH:24][cH:25][c:26]([F:31])[c:27]([CH2:28][NH2:29])[cH:30]1.[CH2:51]([Cl:52])[CH2:53][Cl:54].[CH3:56][N:57]([CH3:58])[CH:59]=[O:60].[CH:42]([N:43]([CH2:44][CH3:45])[CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]([CH2:17][C:18](=[O:19])[OH:20])[c:11](=[O:16])[n:12]2[CH:13]2[CH2:14][CH2:15]2)[cH:6][cH:7]1.[ClH:21].[ClH:55].[OH2:61].[OH:32][n:33]1[c:34]2[c:35]([cH:36][cH:37][cH:38][cH:39]2)[n:40][n:41]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][n:10]([CH2:17][C:18](=[O:19])[NH:29][CH2:28][c:27]3[c:26]([F:31])[cH:25][cH:24][c:23]([Br:22])[cH:30]3)[c:11](=[O:16])[n:12]2[CH:13]2[CH2:14][CH2:15]2)[cH:6][cH:7]1