HRID669950

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID81531

Diisopropylethylamine

C8H19N

HCID82129

Carbonochloridic acid, 4-nitrophenyl ester

C7H4ClNO4

HCID21908997

2-[(Pyridin-3-yl)oxy]ethan-1-ol

C7H9NO2

HCID45110986

未命名化合物

PRODUCTS

生成物

结构：CC(C)C1c2nc[nH]c2CCN1C(=O)OCCOc1cccnc1

HCID45111274

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6dfdc87cea8d410b8fc94619b155f4d1
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

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