HRID208556

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1003

Dihydrogen phosphate

H2O4P-

HCID6386

tert-Butyl alcohol

C4H10O

HCID10553

2-Methyl-2-butene

C5H10

HCID197148

Chlorite

ClO2-

HCID22603427

未命名化合物

PRODUCTS

产物

HCID22603435

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-20a91725e8c14c4a8b0834bffcd458f4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

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