HRID120910

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-

HCID81531

Diisopropylethylamine

C8H19N

HCID4641409

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

C10H15N6O+

HCID51358380

tert-Butyl 3-amino-1H-pyrazole-1-carboxylate

C8H13N3O2

HCID67484586

未命名化合物

PRODUCTS

生成物

结构：COCC(C)Oc1cc(OCc2ccccc2)cc(C(=O)Nc2ccn(C(=O)OC(C)(C)C)n2)c1

HCID178495510

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-816c235484f34407abe47d1e5e1dc7ff
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

[CH3:10][O:11][CH2:12][CH:13]([CH3:14])[O:15][c:16]1[cH:17][c:18]([C:19](=[O:20])[OH:21])[cH:22][c:23]([O:25][CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:24]1.[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[NH2:57][c:58]1[n:59][n:60]([C:63](=[O:64])[O:65][C:66]([CH3:67])([CH3:68])[CH3:69])[cH:61][cH:62]1.[O:70]=[CH:71][N:72]([CH3:73])[CH3:74].[OH2:75].[P-:33]([F:34])([F:35])([F:36])([F:37])([F:38])[F:39].[n:40]1([O:41][C:42]([N:43]([CH3:44])[CH3:45])=[N+:46]([CH3:47])[CH3:48])[c:49]2[n:50][cH:51][cH:52][cH:53][c:54]2[n:55][n:56]1>>[CH3:10][O:11][CH2:12][CH:13]([CH3:14])[O:15][c:16]1[cH:17][c:18]([C:19](=[O:21])[NH:57][c:58]2[n:59][n:60]([C:63](=[O:64])[O:65][C:66]([CH3:67])([CH3:68])[CH3:69])[cH:61][cH:62]2)[cH:22][c:23]([O:25][CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[cH:24]1