HRID1148864

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2155

2-Aminothiazole

C3H4N2S

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

(Dimethylamino)-N,N-dimethyl(3H-[1,2,3]triazolo[4,5-b]pyridin-3-yloxy)methaniminium

C10H15N6O+

结构：CC(C)(C(=O)O)C(Cc1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1

HCID67006025

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C(=O)Nc1nccs1)C(Cc1ccccc1)c1ccc2c(cnn2-c2ccc(F)cc2)c1

HCID59252810

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-32ae09f1029a42b3a854c4dadce62176
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

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