HRID145884

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID89602

Bromoacetyl chloride

C2H2BrClO

结构：Cc1cc(Cl)ccc1NC(=O)Nc1cn(Cc2ccc(C(F)(F)F)cc2)c(C(=O)OCCO)n1

HCID59421794

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(Cl)ccc1NC(=O)Nc1cn(Cc2ccc(C(F)(F)F)cc2)c(C(=O)OCCOC(=O)CBr)n1

HCID59421785

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f436896ce1c84f4baeee38af390277b8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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