HRID680741

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID12734

Diisopropylcarbodiimide

C7H14N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID409683

(RS)-Valine methyl ester

C6H13NO2

反应SMILES：O=C(O)c1ccc(-c2ccc(Nc3nc4ccc(F)cc4s3)c(F)c2)cc1

HCID7147096

未命名化合物

PRODUCTS

产物

反应SMILES：COC(=O)C(NC(=O)c1ccc(-c2ccc(Nc3nc4ccc(F)cc4s3)c(F)c2)cc1)C(C)C

HCID178501629

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-72294363b1c64ab3805d2afeba475d4b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应SMILES

[CH3:29][O:30][C:31]([CH:32]([NH2:33])[CH:34]([CH3:35])[CH3:36])=[O:37].[CH3:38][CH2:39][N:40]([CH2:41][CH3:42])[CH2:43][CH3:44].[CH3:67][CH2:68][O:69][C:70]([CH3:71])=[O:72].[CH:55]([N:56]=[C:57]=[N:58][CH:59]([CH3:60])[CH3:61])([CH3:62])[CH3:63].[Cl:64][CH2:65][Cl:66].[ClH:28].[F:1][c:2]1[cH:3][c:4](-[c:19]2[cH:20][cH:21][c:22]([C:25](=[O:26])[OH:27])[cH:23][cH:24]2)[cH:5][cH:6][c:7]1[NH:8][c:9]1[s:10][c:11]2[c:12]([n:13]1)[cH:14][cH:15][c:16]([F:18])[cH:17]2.[O:73]=[CH:74][N:75]([CH3:76])[CH3:77].[OH:45][n:46]1[c:47]2[cH:48][cH:49][cH:50][cH:51][c:52]2[n:53][n:54]1>>[F:1][c:2]1[cH:3][c:4](-[c:19]2[cH:20][cH:21][c:22]([C:25](=[O:26])[NH:33][CH:32]([C:31]([O:30][CH3:29])=[O:37])[CH:34]([CH3:35])[CH3:36])[cH:23][cH:24]2)[cH:5][cH:6][c:7]1[NH:8][c:9]1[s:10][c:11]2[c:12]([n:13]1)[cH:14][cH:15][c:16]([F:18])[cH:17]2