HRID2157760

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

结构：CCCCn1c(=O)n(Cc2cc([N+](=O)[O-])ccc2F)c(=O)c2c1nc(Cc1ccc(NC(C)=O)cc1)n2COC(=O)C(C)(C)C

HCID58739230

未命名化合物

PRODUCTS

生成物

结构：CCCCn1c(=O)n(Cc2cc(N)ccc2F)c(=O)c2c1nc(Cc1ccc(NC(C)=O)cc1)n2COC(=O)C(C)(C)C

HCID58739227

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-25f578d41ef043a9a3c48e47a833c18a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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