HRID213219

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

HCID2762821

2-methylpyridine-4-carboxylic acid

C7H7NO2

HCID4641409

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

C10H15N6O+

HCID22252234

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2ccc(F)cc2)c2oc(NC(=O)c3ccnc(C)c3)nc12

HCID10022458

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-42b8fc55261842009d0e2b411e6f500e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:54]1[O:55][CH2:56][CH2:57][CH2:58]1.[CH3:1][c:2]1[cH:3][c:4]([C:5](=[O:6])[OH:7])[cH:8][cH:9][n:10]1.[F:35][c:36]1[cH:37][cH:38][c:39](-[c:42]2[cH:43][cH:44][c:45]([O:52][CH3:53])[c:46]3[n:47][c:48]([NH2:51])[o:49][c:50]23)[cH:40][cH:41]1.[O:59]1[CH2:60][CH2:61][O:62][CH2:63][CH2:64]1.[O:65]=[CH:66][N:67]([CH3:68])[CH3:69].[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>>[CH3:1][c:2]1[cH:3][c:4]([C:5](=[O:7])[NH:51][c:48]2[n:47][c:46]3[c:45]([O:52][CH3:53])[cH:44][cH:43][c:42](-[c:39]4[cH:38][cH:37][c:36]([F:35])[cH:41][cH:40]4)[c:50]3[o:49]2)[cH:8][cH:9][n:10]1