HRID1573473

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8471

Triethylamine

C6H15N

HCID31275

1,4-Dioxane

C4H8O2

HCID11492276

3-(N-TERT-BUTOXYCARBONYL-N-METHYLAMINO)ANILINE

C12H18N2O2

结构：O=[N+]([O-])c1c(Cl)ncnc1N(Cc1ccccc1)Cc1ccccc1

HCID23477266

未命名化合物

PRODUCTS

生成物

结构：CN(C(=O)OC(C)(C)C)c1cccc(Nc2ncnc(N(Cc3ccccc3)Cc3ccccc3)c2[N+](=O)[O-])c1

HCID86761989

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ec0a0f92a2a34e5eb44807378aae4c3e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[CH2:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[N:24]([c:25]1[n:26][cH:27][n:28][c:29]([Cl:34])[c:30]1[N+:31](=[O:32])[O-:33])[CH2:35][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1.[CH3:42][CH2:43][N:44]([CH2:45][CH3:46])[CH2:47][CH3:48].[NH2:1][c:2]1[cH:3][c:4]([N:8]([C:9]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15])[CH3:16])[cH:5][cH:6][cH:7]1.[O:49]1[CH2:50][CH2:51][O:52][CH2:53][CH2:54]1>>[NH:1]([c:2]1[cH:3][c:4]([N:8]([C:9]([O:10][C:11]([CH3:12])([CH3:13])[CH3:14])=[O:15])[CH3:16])[cH:5][cH:6][cH:7]1)[c:29]1[n:28][cH:27][n:26][c:25]([N:24]([CH2:17][c:18]2[cH:19][cH:20][cH:21][cH:22][cH:23]2)[CH2:35][c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:30]1[N+:31](=[O:32])[O-:33]