HRID1142913

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1032

未命名化合物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID81531

Diisopropylethylamine

C8H19N

结构：NCC1CN(c2ccc(C3=NNC(=O)CS3)c(F)c2)C(=O)O1

HCID22609621

未命名化合物

PRODUCTS

生成物

结构：CCC(=O)NCC1CN(c2ccc(C3=NNC(=O)CS3)c(F)c2)C(=O)O1

HCID22609654

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ffd783655b91436a9614c1a96e229314
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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