HRID320813

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

HCID76639

Benzyl isocyanate

C8H7NO

HCID59148388

未命名化合物

PRODUCTS

生成物

结构：O=C(NCc1ccccc1)Nc1nonc1-c1noc(=O)n1-c1ccc(F)c(Br)c1

HCID67436648

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c73ba73f1ae84cfbbc0fbd8b77452d2a
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

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