HRID87049

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

结构：COc1cc(F)c(C(C)C)cc1-c1ccc([N+](=O)[O-])cc1CN1C(=O)OC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C

HCID72995338

未命名化合物

PRODUCTS

生成物

结构：COc1cc(F)c(C(C)C)cc1-c1ccc(N)cc1CN1C(=O)OC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1C

HCID73029787

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-15bcf149302c4404a5dbec1e8947916e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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