HRID122631

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID79832

3,4-Dimethoxybenzylamine

C9H13NO2

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID5360545

Sodium

结构：CC(C)COC(=O)N(c1ccc(OCc2ccccc2)cc1C(=O)O)C1CCN(C(=O)OC(C)(C)C)CC1

HCID59587117

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CNC(=O)c2cc(OCc3ccccc3)ccc2N(C(=O)OCC(C)C)C2CCN(C(=O)OC(C)(C)C)CC2)cc1OC

HCID66603782

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-eaadf30bb9a84a459af878fae7e5ed50
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

[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][c:10]1[cH:11][cH:12][c:13]([N:19]([C:20](=[O:21])[O:22][CH2:23][CH:24]([CH3:25])[CH3:26])[CH:27]2[CH2:28][CH2:29][N:30]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:31][CH2:32]2)[c:14]([C:15](=[O:16])[OH:17])[cH:18]1.[CH2:73]([c:74]1[cH:75][c:76]([O:77][CH3:78])[c:79]([O:80][CH3:81])[cH:82][cH:83]1)[NH2:84].[CH:40]([N:41]([CH2:42][CH3:43])[CH:44]([CH3:45])[CH3:46])([CH3:47])[CH3:48].[Na:1].[O:85]=[CH:86][N:87]([CH3:88])[CH3:89].[P-:49]([F:50])([F:51])([F:52])([F:53])([F:54])[F:55].[n:56]1([O:57][C:58]([N:59]([CH3:60])[CH3:61])=[N+:62]([CH3:63])[CH3:64])[c:65]2[cH:66][cH:67][cH:68][cH:69][c:70]2[n:71][n:72]1>>[CH2:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[O:9][c:10]1[cH:11][cH:12][c:13]([N:19]([C:20](=[O:21])[O:22][CH2:23][CH:24]([CH3:25])[CH3:26])[CH:27]2[CH2:28][CH2:29][N:30]([C:33](=[O:34])[O:35][C:36]([CH3:37])([CH3:38])[CH3:39])[CH2:31][CH2:32]2)[c:14]([C:15](=[O:16])[NH:84][CH2:73][c:74]2[cH:75][c:76]([O:77][CH3:78])[c:79]([O:80][CH3:81])[cH:82][cH:83]2)[cH:18]1