HRID690575

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID58839058

2-Methyl-5-(trifluoromethoxy)benzoic acid

C9H7F3O3

结构：COc1ccc(C2=NN(C3CCNCC3)C(=O)C2(C)C)c2c1OC1(CCCC1)C2

HCID66616433

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2=NN(C3CCN(C(=O)c4cc(OC(F)(F)F)ccc4C)CC3)C(=O)C2(C)C)c2c1OC1(CCCC1)C2

HCID67385774

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f6b872215f9c42a98c4575682c5a7fe1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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