HRID822842

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID31374

Dimethylacetamide

C4H9NO

HCID62365

Isobutyl chloroformate

C5H9ClO2

HCID89675

2-Amino-N-methylacetamide

C3H8N2O

结构：Cc1ccc(C(=O)O)cc1-n1c(C)nc(OCc2ccc(F)cc2F)c(Br)c1=O

HCID21089245

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)CNC(=O)c1ccc(C)c(-n2c(C)nc(OCc3ccc(F)cc3F)c(Br)c2=O)c1

HCID21088988

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-687e638e63f945649d2eaffb78e83a4e
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:1][c:2]1[c:3]([O:20][CH2:21][c:22]2[c:23]([F:29])[cH:24][c:25]([F:28])[cH:26][cH:27]2)[n:4][c:5]([CH3:19])[n:6](-[c:9]2[cH:10][c:11]([C:12](=[O:13])[OH:14])[cH:15][cH:16][c:17]2[CH3:18])[c:7]1=[O:8].[CH2:30]([O:31][C:32]([Cl:33])=[O:34])[CH:35]([CH3:36])[CH3:37].[CH3:38][N:39]1[CH2:40][CH2:41][O:42][CH2:43][CH2:44]1.[CH3:46][NH:47][C:48]([CH2:49][NH2:50])=[O:51].[CH3:52][C:53]([N:54]([CH3:55])[CH3:56])=[O:57].[CH3:58][N:59]([c:60]1[cH:61][cH:62][n:63][cH:64][cH:65]1)[CH3:66].[Cl:67][CH2:68][Cl:69].[ClH:45]>>[Br:1][c:2]1[c:3]([O:20][CH2:21][c:22]2[c:23]([F:29])[cH:24][c:25]([F:28])[cH:26][cH:27]2)[n:4][c:5]([CH3:19])[n:6](-[c:9]2[cH:10][c:11]([C:12](=[O:14])[NH:50][CH2:49][C:48]([NH:47][CH3:46])=[O:51])[cH:15][cH:16][c:17]2[CH3:18])[c:7]1=[O:8]