HRID298494

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6328

Methyl iodide

CH3I

HCID8857

Ethyl acetate

C4H8O2

HCID166653

Hydride

H-

结构：CCCCc1nnc(OCC2CCN(C(=O)OC(C)(C)C)CC2O)cc1-c1ccc(OC2CCCCC2)cc1

HCID67387080

未命名化合物

PRODUCTS

生成物

结构：CCCCc1nnc(OCC2CCN(C(=O)OC(C)(C)C)CC2OC)cc1-c1ccc(OC2CCCCC2)cc1

HCID67387322

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cb3558706142452484b09e848f3d8402
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

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