HRID680877

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

HCID15908

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

C8H17N3

HCID31018

3-(Aminomethyl)pyridine

C6H8N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：Cc1nc(-c2cn(CC(F)(F)c3ccccc3)nn2)sc1C(=O)O

HCID59179704

未命名化合物

PRODUCTS

生成物

结构：Cc1nc(-c2cn(CC(F)(F)c3ccccc3)nn2)sc1C(=O)NCc1cccnc1

HCID24957853

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e4e2e8bf9fbd4aadb0a6ef168aa50847
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

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