HRID1217433

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID8502

4-Nitrobenzoyl chloride

C7H4ClNO3

结构：CC1CC(O)c2ncnc(N3CCN(C(=O)OC(C)(C)C)CC3)c21

HCID66618169

未命名化合物

PRODUCTS

生成物

结构：CC1CC(OC(=O)c2ccc([N+](=O)[O-])cc2)c2ncnc(N3CCN(C(=O)OC(C)(C)C)CC3)c21

HCID71133796

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1075a20177d2449faea64b6095c1e594
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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