HRID1215568

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID8857

Ethyl acetate

C4H8O2

HCID23925

Iron

结构：COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1[N+](=O)[O-]

HCID18791440

未命名化合物

PRODUCTS

生成物

结构：COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1N

HCID18354906

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a45e05656af34a04ba56bf07139de4ca
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

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