HRID283408

反应详情

EQUATION

反应方程式

REACTANTS

反应物

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

结构：CC(C)Oc1cc(Oc2ccc3c(c2)OCCN(C)C3=O)cc(C(=O)O)c1

HCID57663220

未命名化合物

PRODUCTS

生成物

结构：CC(C)Oc1cc(Oc2ccc3c(c2)OCCN(C)C3=O)cc(C(=O)Nc2ccn(C(=O)OC(C)(C)C)n2)c1

HCID57663197

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c91fe14310194310902e6a462686766e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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