HRID680310

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

结构：CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncccc1-c1cc(Cc2ccc(COc3ccccn3)cc2)no1

HCID25114167

1,3-Bis(1,1-dimethylethyl) 2-[3-[3-[[4-[(2-pyridinyloxy)methyl]phenyl]methyl]-5-isoxazolyl]-2-pyridinyl]imidodicarbonate

C31H34N4O6

PRODUCTS

生成物

结构：Nc1ncccc1-c1cc(Cc2ccc(COc3ccccn3)cc2)no1

HCID16719049

(3-(3-(4-(((Pyridin-2-yl)oxy)methyl)benzyl)isoxazol-5-yl)pyridin-2-)amine

C21H18N4O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9de2c0addae241cb913970a36be7b5b3
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

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