HRID106408

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID946

Nitrite ion

NO2-

HCID962

Water

H2O

HCID1038

Hydrogen ion

H+

HCID26255

Tetrafluoroborate

BF4-

HCID31275

1,4-Dioxane

C4H8O2

结构：COc1cc2c(cc1OC)CN(C(=O)C(Nc1ccccc1N)C(C)(C)C)CC2

HCID178486557

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(cc1OC)CN(C(=O)C(Nc1ccccc1)C(C)(C)C)CC2

HCID22599910

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ee10978bb8db4b82af2660684950b41d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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