HRID2309998

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID67947

2-Chloro-6-fluorobenzoic acid

C7H4ClFO2

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID57875549

未命名化合物

PRODUCTS

生成物

结构：O=C(Nc1ccn(Cc2cc(Cl)ccc2OCc2ccccc2)n1)c1c(F)cccc1Cl

HCID59547954

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bfccd8adbd0b4d14a0895b003e7bff65
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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