HRID2344381

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)NC1CCN(Cc2ccc(Cl)c([N+](=O)[O-])c2)C1

HCID18426287

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)NC1CCN(Cc2ccc(Cl)c(N)c2)C1

HCID18426264

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-60f1f1565d754177a04e5c7915119b05
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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