HRID186712

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

2 次

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1003

Dihydrogen phosphate

H2O4P-

HCID1117

Sulfate

O4S-2

HCID3283

Diethyl Ether

C4H10O

HCID6386

tert-Butyl alcohol

C4H10O

HCID10553

2-Methyl-2-butene

C5H10

HCID197148

Chlorite

ClO2-

结构：CC(C)(C)OC(=O)N1CCc2c(cc(C=O)n2C(=O)OC(C)(C)C)C1

HCID11152294

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCc2c(cc(C(=O)O)n2C(=O)OC(C)(C)C)C1

HCID11382988

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a98ee41655d24c2d8873153700346bf2
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9]([CH:24]=[O:25])[cH:10][c:11]2[c:16]1[CH2:15][CH2:14][N:13]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:12]2.[C:43]([OH:44])([CH3:45])([CH3:46])[CH3:47].[CH3:48][C:49](=[CH:50][CH3:51])[CH3:52].[CH3:54][CH2:55][O:56][CH2:57][CH3:58].[Cl+:26]([O-:27])[O-:28].[NH4+:36].[NH4+:37].[Na+:29].[Na+:30].[O-:38][S:39](=[O:40])(=[O:41])[O-:42].[OH2:53].[OH:31][P:32](=[O:33])([O-:34])[OH:35]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[n:8]1[c:9]([C:24](=[O:25])[OH:27])[cH:10][c:11]2[c:16]1[CH2:15][CH2:14][N:13]([C:17](=[O:18])[O:19][C:20]([CH3:21])([CH3:22])[CH3:23])[CH2:12]2