HRID692713

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

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+

HCID24903633

2-(Pyridin-2-yl)pyrimidine-5-carboxylic acid

C10H7N3O2

HCID68554408

未命名化合物

PRODUCTS

生成物

结构：Cc1cc2cc(F)ccc2n1NC(=O)c1cnc(-c2ccccn2)nc1

HCID25099478

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-53f41f79af23490b95e45454616c1bf7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:67][CH2:68][O:69][C:70]([CH3:71])=[O:72].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[F:49][c:50]1[cH:51][c:52]2[cH:53][c:54]([CH3:60])[n:55]([NH2:59])[c:56]2[cH:57][cH:58]1.[O:61]=[CH:62][N:63]([CH3:64])[CH3:65].[OH2:66].[P-:16]([F:17])([F:18])([F:19])([F:20])([F:21])[F:22].[n:1]1[c:2](-[c:7]2[n:8][cH:9][c:10]([C:13](=[O:14])[OH:15])[cH:11][n:12]2)[cH:3][cH:4][cH:5][cH:6]1.[n:23]1([O:24][C:25]([N:26]([CH3:27])[CH3:28])=[N+:29]([CH3:30])[CH3:31])[c:32]2[n:33][cH:34][cH:35][cH:36][c:37]2[n:38][n:39]1>>[n:1]1[c:2](-[c:7]2[n:8][cH:9][c:10]([C:13](=[O:15])[NH:59][n:55]3[c:54]([CH3:60])[cH:53][c:52]4[cH:51][c:50]([F:49])[cH:58][cH:57][c:56]43)[cH:11][n:12]2)[cH:3][cH:4][cH:5][cH:6]1