HRID695251

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-

结构：CC(C)(C)OC(=O)N1CCC(O)(c2cc(C=O)c3ccccc3c2)CC1

HCID86630119

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(O)(c2cc(C(=O)O)c3ccccc3c2)CC1

HCID67297086

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a8a3a4ac24df46dbb46c065e164fffe3
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

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