HRID1219720

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID9886

Hexafluorophosphate ion

F6P-

HCID31275

1,4-Dioxane

C4H8O2

HCID222701

2-bromoisonicotinic acid

C6H4BrNO2

HCID4641409

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

C10H15N6O+

HCID22015744

未命名化合物

PRODUCTS

生成物

结构：COCCN(C)c1ccc(OC)c2nc(NC(=O)c3ccnc(Br)c3)sc12

HCID22736976

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d68e6ba7c74d46609adb9f7053d69007
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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