HRID676868

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID673

Glycine, N,N-dimethyl-

C4H9NO2

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID153040

Phenol, 4-(3-pyridinyl)-

C11H9NO

HCID59752964

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCCC1COc1ccc(Oc2ccc(-c3cccnc3)cc2)cc1

HCID69003812

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-97af1cedc9d340d19cb760bf0a65b0ac
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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