HRID674898

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID11715187

5-Amino-7-azaindole

C7H7N3

HCID67088850

未命名化合物

PRODUCTS

生成物

结构：CCCNS(=O)(=O)Nc1ccc(F)c(C(=O)Nc2cnc3[nH]ccc3c2)c1F

HCID67156014

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e88dfd053644e75b569ddc749193b0d
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

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