HRID1205774

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID2414110

4-methoxy-3-(2-methylpropoxy)benzaldehyde

C12H16O3

HCID42604214

未命名化合物

结构：CCCOc1cc(CN2CCC(Nc3cc(C(F)(F)F)c(C(N)=O)cn3)CC2)ccc1OC

HCID42604959

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN2CCC(Nc3cc(C(F)(F)F)c(C(N)=O)cn3)CC2)cc1OCC(C)C

HCID67400949

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fd76142ade7248b4b4fdd3ac723fe50b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH2:57]([O:58][c:59]1[cH:60][c:61]([CH:67]=[O:68])[cH:62][cH:63][c:64]1[O:65][CH3:66])[CH:69]([CH3:70])[CH3:71].[CH3:1][O:2][c:3]1[c:4]([O:30][CH2:31][CH2:32][CH3:33])[cH:5][c:6]([CH2:7][N:8]2[CH2:9][CH2:10][CH:11]([NH:14][c:15]3[n:16][cH:17][c:18]([C:19](=[O:20])[NH2:21])[c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]3)[CH2:12][CH2:13]2)[cH:28][cH:29]1.[CH3:36][O:37][C:38](=[O:39])[c:40]1[c:41]([C:42]([F:43])([F:44])[F:45])[cH:46][c:47]([NH:48][CH:49]2[CH2:50][CH2:51][NH:52][CH2:53][CH2:54]2)[n:55][cH:56]1.[ClH:34].[ClH:35]>>[CH3:1][O:2][c:3]1[c:4]([O:30][CH2:31][CH:32]([CH3:33])[CH3:36])[cH:5][c:6]([CH2:7][N:8]2[CH2:9][CH2:10][CH:11]([NH:14][c:15]3[n:16][cH:17][c:18]([C:19](=[O:20])[NH2:21])[c:22]([C:24]([F:25])([F:26])[F:27])[cH:23]3)[CH2:12][CH2:13]2)[cH:28][cH:29]1