HRID176992

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6342

Acetonitrile

C2H3N

HCID19660

Carbonate

CO3-2

结构：COC(=O)c1cccc([N+](=O)[O-])c1NC(=O)OC(C)(C)C

HCID9965968

Methyl 2-[(tert-butoxycarbonyl)amino]-3-nitrobenzoate

C13H16N2O6

结构：COc1ccc(Cn2nnnc2-c2ccccc2-c2ccc(CBr)cc2)cc1

HCID52950540

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cccc([N+](=O)[O-])c1N(Cc1ccc(-c2ccccc2-c2nnnn2Cc2ccc(OC)cc2)cc1)C(=O)OC(C)(C)C

HCID70664089

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e3449f0d1a5c4c98bd534dc2559e6cd5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][CH2:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[c:10](-[c:15]3[n:16][n:17][n:18][n:19]3[CH2:20][c:21]3[cH:22][cH:23][c:24]([O:27][CH3:28])[cH:25][cH:26]3)[cH:11][cH:12][cH:13][cH:14]2)[cH:7][cH:8]1.[C:29]([CH3:30])([CH3:31])([CH3:32])[O:33][C:34](=[O:35])[NH:36][c:37]1[c:38]([C:39](=[O:40])[O:41][CH3:42])[cH:43][cH:44][cH:45][c:46]1[N+:47](=[O:48])[O-:49].[C:50](=[O:51])([O-:52])[O-:53].[CH3:56][C:57]#[N:58].[K+:54].[K+:55]>>[CH2:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[c:10](-[c:15]3[n:16][n:17][n:18][n:19]3[CH2:20][c:21]3[cH:22][cH:23][c:24]([O:27][CH3:28])[cH:25][cH:26]3)[cH:11][cH:12][cH:13][cH:14]2)[cH:7][cH:8]1)[N:36]([C:34]([O:33][C:29]([CH3:30])([CH3:31])[CH3:32])=[O:35])[c:37]1[c:38]([C:39](=[O:40])[O:41][CH3:42])[cH:43][cH:44][cH:45][c:46]1[N+:47](=[O:48])[O-:49]