HRID166314

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

2 次

HCID1003

Dihydrogen phosphate

H2O4P-

HCID6386

tert-Butyl alcohol

C4H10O

HCID8028

Tetrahydrofuran

C4H8O

HCID10553

2-Methyl-2-butene

C5H10

HCID197148

Chlorite

ClO2-

结构：CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc(Br)c(C=O)[nH]1

HCID178454341

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1nc(Br)c(C(=O)O)[nH]1

HCID178454342

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f858daaff6c4549997620d82acebeaa
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:46]([OH:47])([CH3:48])([CH3:49])[CH3:50].[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:12][C:13]([CH3:14])([CH3:15])[O:16][C:17](=[O:18])[N:19]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[c:27]1[nH:28][c:29]([CH:33]=[O:34])[c:30]([Br:32])[n:31]1.[CH3:35][C:36](=[CH:37][CH3:38])[CH3:39].[Cl+:1]([O-:2])[O-:3].[Na+:11].[Na+:4].[OH2:40].[OH2:5].[P:6]([O-:7])([OH:8])([OH:9])=[O:10]>>[OH:5][C:33]([c:29]1[nH:28][c:27]([N:19]([C:17]([O:16][C:13]([CH3:12])([CH3:14])[CH3:15])=[O:18])[C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[n:31][c:30]1[Br:32])=[O:34]