HRID1543516

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2394006

3-(Cyclopropylmethoxy)-4-(difluoromethoxy)benzoic acid

C12H12F2O4

结构：COc1ccc(C2=NN(C3CCNCC3)C(=O)C2(C)C)cc1OC

HCID66616407

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(C2=NN(C3CCN(C(=O)c4ccc(OC(F)F)c(OCC5CC5)c4)CC3)C(=O)C2(C)C)cc1OC

HCID46204962

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-daac9b72b9954bf68d10c246641084d7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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