HRID2149282

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID888

Magnesium cation

Mg+2

HCID962

Water

H2O

HCID1117

Sulfate

O4S-2

HCID31275

1,4-Dioxane

C4H8O2

HCID74143

2-Amino-4-methylthiazole

C4H6N2S

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：COC(=O)c1ccnc(C#Cc2c(-c3ccccc3)noc2C)c1

HCID24783153

未命名化合物

PRODUCTS

生成物

结构：Cc1csc(NC(=O)c2ccnc(C#Cc3c(-c4ccccc4)noc3C)c2)n1

HCID24783156

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-803418764a324acba17cde162c6ba417
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH3:12][O:13][C:14]([c:15]1[cH:16][c:17]([C:21]#[C:22][c:23]2[c:24](-[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[n:25][o:26][c:27]2[CH3:28])[n:18][cH:19][cH:20]1)=[O:35].[CH3:8][Al:9]([CH3:10])[CH3:11].[Mg+2:36].[NH2:1][c:2]1[s:3][cH:4][c:5]([CH3:7])[n:6]1.[O-:37][S:38](=[O:39])(=[O:40])[O-:41].[O:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1.[OH2:48]>>[NH:1]([c:2]1[s:3][cH:4][c:5]([CH3:7])[n:6]1)[C:14](=[O:13])[c:15]1[cH:16][c:17]([C:21]#[C:22][c:23]2[c:24](-[c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[n:25][o:26][c:27]2[CH3:28])[n:18][cH:19][cH:20]1