HRID1209453

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID8857

Ethyl acetate

C4H8O2

2 次

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2737593

4-Fluoro-3-(trifluoromethyl)phenylacetic acid

C9H6F4O2

结构：CCS(=O)(=O)CCNC(C)c1nc2ccc(F)cn2c(=O)c1Br

HCID58796896

未命名化合物

PRODUCTS

生成物

结构：CCS(=O)(=O)CCN(C(=O)Cc1ccc(F)c(C(F)(F)F)c1)C(C)c1nc2ccc(F)cn2c(=O)c1Br

HCID58796903

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5d4f3b0dff84ec7b3fb6f8748681940
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[c:3]([CH:14]([CH3:15])[NH:16][CH2:17][CH2:18][S:19](=[O:20])(=[O:21])[CH2:22][CH3:23])[n:4][c:5]2[n:6]([c:7]1=[O:8])[cH:9][c:10]([F:13])[cH:11][cH:12]2.[C:63]([O:64][CH2:65][CH3:66])(=[O:67])[CH3:68].[CH2:39]([Cl:40])[CH2:41][Cl:42].[CH3:53][N:54]1[CH2:55][CH2:56][O:57][CH2:58][CH2:59]1.[CH3:70][CH2:71][O:72][C:73](=[O:74])[CH3:75].[Cl:60][CH2:61][Cl:62].[F:24][c:25]1[c:26]([C:35]([F:36])([F:37])[F:38])[cH:27][c:28]([CH2:31][C:32](=[O:33])[OH:34])[cH:29][cH:30]1.[O:76]=[CH:77][N:78]([CH3:79])[CH3:80].[OH2:69].[OH:43][n:44]1[c:45]2[c:46]([cH:47][cH:48][cH:49][cH:50]2)[n:51][n:52]1>>[Br:1][c:2]1[c:3]([CH:14]([CH3:15])[N:16]([CH2:17][CH2:18][S:19](=[O:20])(=[O:21])[CH2:22][CH3:23])[C:32]([CH2:31][c:28]2[cH:27][c:26]([C:35]([F:36])([F:37])[F:38])[c:25]([F:24])[cH:30][cH:29]2)=[O:33])[n:4][c:5]2[n:6]([c:7]1=[O:8])[cH:9][c:10]([F:13])[cH:11][cH:12]2