HRID691425

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)CN(C(=O)OC(C)(C)C)C2)nc2ccccc21

HCID76731630

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

HCID70236433

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-65b27e60058a4feebf2f1e0da3f7a3cd
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

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