HRID320974

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID75377

alpha,alpha,alpha-4-Tetrafluoro-m-toluidine

C7H5F4N

HCID204484

Propylphosphonic acid

C3H9O3P

HCID66636805

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(C(=O)Nc3ccc(F)c(C(F)(F)F)c3)nsc2c1

HCID66992942

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1938dfc826649dca93c64f27dce186f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:34]([P:35]([OH:36])([OH:37])=[O:38])[CH2:39][CH3:40].[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([c:7]([C:10](=[O:11])[OH:12])[n:8][s:9]2)[cH:13][cH:14]1.[CH3:27][CH2:28][N:29]([CH2:30][CH3:31])[CH2:32][CH3:33].[CH3:46][CH2:47][O:48][C:49]([CH3:50])=[O:51].[F:15][c:16]1[c:17]([C:23]([F:24])([F:25])[F:26])[cH:18][c:19]([NH2:20])[cH:21][cH:22]1.[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[OH2:52]>>[CH3:1][O:2][c:3]1[cH:4][c:5]2[c:6]([c:7]([C:10](=[O:12])[NH:20][c:19]3[cH:18][c:17]([C:23]([F:24])([F:25])[F:26])[c:16]([F:15])[cH:22][cH:21]3)[n:8][s:9]2)[cH:13][cH:14]1