HRID2312696

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

HCID11816940

4,4,5,5-tetramethyl-2-(5-methylthiophen-2-yl)-1,3,2-dioxaborolane

C11H17BO2S

结构：COc1ccc(CN2Cc3c(F)c(NC4CCOCC4NC(=O)OC(C)(C)C)nc(Cl)c3C2=O)c(OC)c1

HCID138662734

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CN2Cc3c(F)c(NC4CCOCC4NC(=O)OC(C)(C)C)nc(-c4ccc(C)s4)c3C2=O)c(OC)c1

HCID138662300

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5cbbad23f6154e4782967f48de60cca0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:60](=[O:61])([O-:62])[O-:63].[CH3:39][C:40]1([CH3:41])[C:42]([CH3:43])([CH3:44])[O:45][B:46]([c:47]2[s:48][c:49]([CH3:52])[cH:50][cH:51]2)[O:53]1.[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][O: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.[Na+:64].[Na+:65].[O:54]1[CH2:55][CH2:56][O:57][CH2:58][CH2:59]1>>[c:2]1(-[c:47]2[s:48][c:49]([CH3:52])[cH:50][cH:51]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][O: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