HRID1235701

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID7972

4-Methylmorpholine

C5H11NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID605123

2-(4-Fluorophenoxy)nicotinic acid

C12H8FNO3

HCID3354775

1-(N-Boc-aminomethyl)-4-(aminomethyl)benzene

C13H20N2O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCc1ccc(CNC(=O)c2cccnc2Oc2ccc(F)cc2)cc1

HCID20738633

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00bf65af05c949b785b94f690d935cc2
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

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