HRID669860

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

HCID67239462

[1-(Difluoromethyl)-1H-pyrazol-4-yl]boronic acid

C4H5BF2N2O2

结构：CC(C)(C)OC(=O)NC1COCCC1Nc1nc(Cl)c2c(c1F)CN(C(=O)OC(C)(C)C)C2=O

HCID123651037

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1COCCC1Nc1nc(-c2cnn(C(F)F)c2)c2c(c1F)CN(C(=O)OC(C)(C)C)C2=O

HCID144211218

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-847ddb4fbe2e4b089b1ec32bb865c022
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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