HRID158250

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID923

Sodium ion

Na+

HCID946

Nitrite ion

NO2-

HCID962

Water

H2O

HCID1038

Hydrogen ion

H+

HCID24536

Hypophosphoric acid

H4O6P2

HCID26255

Tetrafluoroborate

BF4-

结构：CCOC(=O)c1ncc2[nH]c3cccc(Oc4ccc(N)cc4)c3c2c1COC

HCID13800066

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ncc2[nH]c3cccc(Oc4ccccc4)c3c2c1COC

HCID13800071

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef59dd443b284661adf4fef7e29f59d3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][cH:8][c:9]2[nH:10][c:11]3[cH:12][cH:13][cH:14][c:15]([O:22][c:23]4[cH:24][cH:25][c:26]([NH2:29])[cH:27][cH:28]4)[c:16]3[c:17]2[c:18]1[CH2:19][O:20][CH3:21].[F:31][B-:32]([F:33])([F:34])[F:35].[H+:30].[N:36]([O-:37])=[O:38].[NH3:48].[Na+:39].[OH2:49].[P:40]([P:41]([OH:42])([OH:43])=[O:44])([OH:45])([OH:46])=[O:47]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][cH:8][c:9]2[nH:10][c:11]3[cH:12][cH:13][cH:14][c:15]([O:22][c:23]4[cH:24][cH:25][cH:26][cH:27][cH:28]4)[c:16]3[c:17]2[c:18]1[CH2:19][O:20][CH3:21]