HRID691618

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID700

Ethanolamine

C2H7NO

HCID813

Potassium cation

K+

HCID923

Sodium ion

Na+

HCID31275

1,4-Dioxane

C4H8O2

HCID3806114

未命名化合物

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：CCOC(=O)c1ccc(NCc2c(-c3ccc(F)cc3)noc2C)nn1

HCID67157863

未命名化合物

PRODUCTS

生成物

结构：Cc1onc(-c2ccc(F)cc2)c1CNc1ccc(C(=O)NCCO)nn1

HCID67158343

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7b84ae036b1f48b88ba5ed57997d019b
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:35]([CH:36]([CH:37]([C:38]([O-:39])=[O:40])[OH:41])[OH:42])([O-:43])=[O:44].[CH2:9]([O:11][C:12](=[O:10])[c:14]1[n:15][n:16][c:17]([NH:20][CH2:21][c:22]2[c:23](-[c:28]3[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]3)[n:24][o:25][c:26]2[CH3:27])[cH:18][cH:19]1)[CH3:13].[CH3:1][Al:2]([CH3:3])[CH3:4].[K+:45].[NH2:5][CH2:6][CH2:7][OH:8].[Na+:46].[O:47]1[CH2:48][CH2:49][O:50][CH2:51][CH2:52]1>>[NH:5]([CH2:6][CH2:7][OH:8])[C:12](=[O:11])[c:14]1[n:15][n:16][c:17]([NH:20][CH2:21][c:22]2[c:23](-[c:28]3[cH:29][cH:30][c:31]([F:34])[cH:32][cH:33]3)[n:24][o:25][c:26]2[CH3:27])[cH:18][cH:19]1