HRID1212287

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID6363

Isopropylamine

C3H9N

HCID31275

1,4-Dioxane

C4H8O2

HCID3806114

未命名化合物

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：COC(=O)c1ccc(NCc2c(-c3ccc(F)cc3)noc2C)nc1

HCID68443392

未命名化合物

PRODUCTS

生成物

结构：Cc1onc(-c2ccc(F)cc2)c1CNc1ccc(C(=O)NC(C)C)cn1

HCID68442601

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b19d49f45aa43cf90d370e0588f2ac4
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

[C:34]([CH:35]([CH:36]([C:37]([O-:38])=[O:39])[OH:40])[OH:41])([O-:42])=[O:43].[CH3:1][Al:2]([CH3:3])[CH3:4].[CH3:5][CH:6]([CH3:7])[NH2:8].[CH3:9][O:10][C:11]([c:12]1[cH:13][n:14][c:15]([NH:18][CH2:19][c:20]2[c:21](-[c:26]3[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]3)[n:22][o:23][c:24]2[CH3:25])[cH:16][cH:17]1)=[O:33].[K+:44].[Na+:45].[O:46]1[CH2:47][CH2:48][O:49][CH2:50][CH2:51]1>>[CH3:5][CH:6]([CH3:7])[NH:8][C:11]([c:12]1[cH:13][n:14][c:15]([NH:18][CH2:19][c:20]2[c:21](-[c:26]3[cH:27][cH:28][c:29]([F:32])[cH:30][cH:31]3)[n:22][o:23][c:24]2[CH3:25])[cH:16][cH:17]1)=[O:33]