HRID1546426

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID68263

1,1'-Carbonylbis(1H-imidazole)

C7H6N4O

HCID78318

Benzenemethanesulfonamide

C7H9NO2S

HCID81184

1,8-Diazabicyclo[5.4.0]undec-7-ene

C9H16N2

结构：Cc1c(Nc2ccc(Br)cc2F)c(C(=O)O)cn(C)c1=O

HCID11646090

未命名化合物

PRODUCTS

生成物

结构：Cc1c(Nc2ccc(Br)cc2F)c(C(=O)NS(=O)(=O)Cc2ccccc2)cn(C)c1=O

HCID57636909

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2a8c2a5bbc64db1a18c700cdcab40c2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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