HRID105071

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6344

Dichloromethane

CH2Cl2

HCID15908

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

C8H17N3

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

HCID642811

3-Amino-6-bromopyridine

C5H5BrN2

HCID2776438

2-Phenyl-5-(trifluoromethyl)oxazole-4-carboxylic acid

C11H6F3NO3

PRODUCTS

生成物

结构：O=C(Nc1ccc(Br)nc1)c1nc(-c2ccccc2)oc1C(F)(F)F

HCID57652145

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-12a38c0984af4a1eb4706f4140c3eb16
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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