HRID701335

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID95102

1,1-Dimethylethanolamine

C4H11NO

HCID4641409

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

C10H15N6O+

结构：CC(C)n1ncnc1-c1cc2n(n1)-c1cc(C(=O)O)ccc1OCC2

HCID58204758

未命名化合物

PRODUCTS

生成物

结构：CC(C)n1ncnc1-c1cc2n(n1)-c1cc(C(=O)NCC(C)(C)O)ccc1OCC2

HCID68355376

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2b190c55c85e4b0db66c6399b0fc49b6
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

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