HRID1223470

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID8028

Tetrahydrofuran

C4H8O

结构：COCCCCn1c(C(=O)N(CC(C)C)C2CC(C(=O)N(C)OC)CN(C(=O)OC(C)(C)C)C2)nc2ccccc21

HCID76731366

未命名化合物

PRODUCTS

生成物

结构：COCCCCn1c(C(=O)N(CC(C)C)C2CC(C(C)=O)CN(C(=O)OC(C)(C)C)C2)nc2ccccc21

HCID178495023

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b03d64474074dc7a5e33f683f4b8ad4
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

[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:1][O:2][CH2:3][CH2:4][CH2:5][CH2:6][n:7]1[c:8]([C:16](=[O:17])[N:18]([CH:19]2[CH2:20][N:21]([C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[CH2:22][CH:23]([C:25]([N:26]([O:27][CH3:28])[CH3:29])=[O:30])[CH2:24]2)[CH2:38][CH:39]([CH3:40])[CH3:41])[n:9][c:10]2[c:11]1[cH:12][cH:13][cH:14][cH:15]2.[Cl-:42].[NH4+:43]>>[CH3:1][O:2][CH2:3][CH2:4][CH2:5][CH2:6][n:7]1[c:8]([C:16](=[O:17])[N:18]([CH:19]2[CH2:20][N:21]([C:31](=[O:32])[O:33][C:34]([CH3:35])([CH3:36])[CH3:37])[CH2:22][CH:23]([C:25](=[O:30])[CH3:44])[CH2:24]2)[CH2:38][CH:39]([CH3:40])[CH3:41])[n:9][c:10]2[c:11]1[cH:12][cH:13][cH:14][cH:15]2