HRID284576

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13387

N-Methyl-2-pyrrolidone

C5H9NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID22992323

1-Amino-2-phenylpentan-2-ol

C11H17NO

HCID59200423

3-Fluoro-4-[[2-(2-pyridinylamino)-5-thiazolyl]thio]-2-pyridinecarboxylic acid

C14H9FN4O2S2

PRODUCTS

生成物

结构：CCCC(O)(CNC(=O)c1nccc(Sc2cnc(Nc3ccccn3)s2)c1F)c1ccccc1

HCID24958492

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc50e89a683246aba492a22afecc823a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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