HRID2126202

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID24385

未命名化合物

HCID28123

Tetrahydroborate

H4B-

结构：CC(C)(C)OC(=O)N1CC(CCC2CCCCC2)OCC1C(O)C(Cc1ccccc1)[N+](=O)[O-]

HCID68558200

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC(CCC2CCCCC2)OCC1C(O)C(N)Cc1ccccc1

HCID68561809

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-54cca67d04ad484a9fbd7856aad383ea
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[BH4-:35].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([CH2:27][CH2:28][CH:29]2[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]2)[O:11][CH2:12][CH:13]1[CH:14]([CH:15]([CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[N+:23]([O-:24])=[O:25])[OH:26].[CH3:37][OH:38].[Cl:39][Ni:40][Cl:41].[Na+:36]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH:10]([CH2:27][CH2:28][CH:29]2[CH2:30][CH2:31][CH2:32][CH2:33][CH2:34]2)[O:11][CH2:12][CH:13]1[CH:14]([CH:15]([CH2:16][c:17]1[cH:18][cH:19][cH:20][cH:21][cH:22]1)[NH2:23])[OH:26]