HRID2145441

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID10610825

未命名化合物

结构：CC1=C(C(=O)O)C(c2ccc(F)c(F)c2)NC(=O)N1

HCID18326575

4-(3,4-Difluorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylic acid

C12H10F2N2O3

结构：COCC1=C(C(=O)O)C(c2ccc(F)c(F)c2)NC(=O)N1

HCID22729423

未命名化合物

PRODUCTS

生成物

结构：CC1=C(C(=O)NCCCN2CCC(O)(c3ccc(F)cc3)CC2)C(c2ccc(F)c(F)c2)NC(=O)N1

HCID20718780

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-579d1d0a43644f6fb05d9e3e3e412199
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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