HRID1204822

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

HCID130500

未命名化合物

HCID586598

3-tert-Butoxybenzoic acid

C11H14O3

HCID11043912

4-[2-(Morpholin-4-yl)ethoxy]naphthalen-1-amine

C16H20N2O2

PRODUCTS

生成物

结构：CC(C)(C)Oc1cccc(C(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)c1

HCID59553474

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0d267ea4a5c64649ab68442ed078c148
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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