HRID193631

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID14284

N,N-Dimethylpyridin-4-amine

C7H10N2

结构：CN(C)C(=O)c1cc(O)ccc1NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1

HCID58706375

未命名化合物

结构：CCNC(=O)C(COCCC(=O)O)(C(=O)NCC)c1ccccc1

HCID58706383

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)C(COCCC(=O)Oc1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c(C(=O)N(C)C)c1)(C(=O)NCC)c1ccccc1

HCID11227990

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c819782f8ff04b1a9e902e148cbb585d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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