HRID1240862

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

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+

HCID59344938

未命名化合物

HCID66666420

未命名化合物

PRODUCTS

产物

HCID72243968

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-2bd188ebca6b4565a2bbc78a7a496338
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

[CH:69]([N:70]([CH2:71][CH3:72])[CH:73]([CH3:74])[CH3:75])([CH3:76])[CH3:77].[Cl:1][c:2]1[c:3]([F:33])[c:4]([CH:8]2[CH:9]([C:30](=[O:31])[OH:32])[NH:10][CH:11]([CH2:23][C:24]([CH2:25][CH2:26][OH:27])([CH3:28])[CH3:29])[C:12]2([C:13]#[N:14])[c:15]2[c:16]([F:22])[cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:5][cH:6][cH:7]1.[Cl:78][CH2:79][Cl:80].[NH2:34][c:35]1[n:36][n:37]([CH2:40][C:41]([CH3:42])([OH:43])[CH3:44])[cH:38][cH:39]1.[P-:45]([F:46])([F:47])([F:48])([F:49])([F:50])[F:51].[n:52]1([O:53][C:54]([N:55]([CH3:56])[CH3:57])=[N+:58]([CH3:59])[CH3:60])[c:61]2[n:62][cH:63][cH:64][cH:65][c:66]2[n:67][n:68]1>>[Cl:1][c:2]1[c:3]([F:33])[c:4]([CH:8]2[CH:9]([C:30](=[O:32])[NH:34][c:35]3[n:36][n:37]([CH2:40][C:41]([CH3:42])([OH:43])[CH3:44])[cH:38][cH:39]3)[NH:10][CH:11]([CH2:23][C:24]([CH2:25][CH2:26][OH:27])([CH3:28])[CH3:29])[C:12]2([C:13]#[N:14])[c:15]2[c:16]([F:22])[cH:17][c:18]([Cl:21])[cH:19][cH:20]2)[cH:5][cH:6][cH:7]1