HRID937413

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID49757986

1-(Difluoromethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C10H15BF2N2O2

结构：COc1ccc(CN2Cc3c(F)c(NC4CCCCC4NC(=O)OC(C)(C)C)nc(Cl)c3C2=O)c(OC)c1

HCID87320428

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN2Cc3c(F)c(NC4CCCCC4NC(=O)OC(C)(C)C)nc(-c4cnn(C(F)F)c4)c3C2=O)c(OC)c1

HCID178490759

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-903136e30e0f436493fd5b2c1c6fab3f
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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