HRID2136341

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID8471

Triethylamine

C6H15N

HCID11776

Triphenylphosphine

C18H15P

结构：CC(C)(C)OC(=O)N(CCO)CC(O)c1ccc([N+](=O)[O-])cc1

HCID67119617

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCOC(c2ccc([N+](=O)[O-])cc2)C1

HCID67119759

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4153c10fc5a948cd8c67b49bcf814193
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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