HRID100513

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID66724

[1,1'-Biphenyl]-4-carboxylic acid

C13H10O2

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID53440861

2-[4-(Azetidin-3-yl)piperazin-1-yl]pyrimidine

C11H17N5

PRODUCTS

生成物

结构：O=C(c1ccc(-c2ccccc2)cc1)N1CC(N2CCN(c3ncccn3)CC2)C1

HCID59626170

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-15db6457231f46318f4c8eba33e60f1d
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

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