HRID1219900

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID947

Nitrogen

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

结构：CC1(C)OB(c2cnc(Cl)c(NS(=O)(=O)c3cccc(OC(F)F)c3)c2)OC1(C)C

HCID57416507

N-[2-Chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]-3-(difluoromethoxy)benzene-1-sulfonamide

C18H20BClF2N2O5S

HCID59519510

N-(6-Chloroimidazo[1,2-b]pyridazin-2-yl)acetamide

C8H7ClN4O

PRODUCTS

生成物

结构：CC(=O)Nc1cn2nc(-c3cnc(Cl)c(NS(=O)(=O)c4cccc(OC(F)F)c4)c3)ccc2n1

HCID44125259

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-945efc100ec647709e57c2e0afbad5a2
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

[Cl:1][c:2]1[n:3][cH:4][c:5]([B:22]2[O:23][C:24]([CH3:25])([CH3:26])[C:27]([CH3:28])([CH3:29])[O:30]2)[cH:6][c:7]1[NH:8][S:9](=[O:10])(=[O:11])[c:12]1[cH:13][c:14]([O:18][CH:19]([F:20])[F:21])[cH:15][cH:16][cH:17]1.[Cl:31][c:32]1[cH:33][cH:34][c:35]2[n:36]([n:37]1)[cH:38][c:39]([NH:41][C:42]([CH3:43])=[O:44])[n:40]2.[N:51]#[N:52].[Na+:45].[Na+:46].[O-:47][C:48](=[O:49])[O-:50].[O:54]1[CH2:55][CH2:56][O:57][CH2:58][CH2:59]1.[OH2:53]>>[Cl:1][c:2]1[n:3][cH:4][c:5](-[c:32]2[cH:33][cH:34][c:35]3[n:36]([n:37]2)[cH:38][c:39]([NH:41][C:42]([CH3:43])=[O:44])[n:40]3)[cH:6][c:7]1[NH:8][S:9](=[O:10])(=[O:11])[c:12]1[cH:13][c:14]([O:18][CH:19]([F:20])[F:21])[cH:15][cH:16][cH:17]1