HRID195707

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID14053792

(4-Bromo-2-fluorophenyl)acetic acid

C8H6BrFO2

HCID66876746

[3-Amino-5-(trifluoromethyl)phenyl](morpholin-4-yl)methanone

C12H13F3N2O2

PRODUCTS

生成物

结构：O=C(Cc1ccc(Br)cc1F)Nc1cc(C(=O)N2CCOCC2)cc(C(F)(F)F)c1

HCID68543465

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-266a6ee1131d4b8f899132e73ac19254
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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