HRID814955

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID9886

Hexafluorophosphate ion

F6P-

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

HCID236361

4-[hydroxy(phenyl)methyl]benzoic acid

C14H12O3

HCID4641409

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

C10H15N6O+

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(C(O)c3ccccc3)cc2)CC1

HCID69470269

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce0ddee1cf3141f09440c57299ef4c40
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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