HRID702008

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID795

Imidazole

C3H4N2

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID28928

Chloro(1,1-dimethylethyl)dimethylsilane

C6H15ClSi

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(C)(C)OC(=O)NC(Cc1ccccc1)C1CC(Cc2ccc(-c3ccccn3)cc2)C(=O)O1

HCID73019446

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(Cc1ccccc1)C(CC(Cc1ccc(-c2ccccn2)cc1)C(=O)O)O[Si](C)(C)C(C)(C)C

HCID178453185

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-812c508c53ea43c1a2dab1037bd6916a
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]([NH:7][CH:8]([CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[CH:16]1[O:17][C:18](=[O:34])[CH:19]([CH2:21][c:22]2[cH:23][cH:24][c:25](-[c:28]3[n:29][cH:30][cH:31][cH:32][cH:33]3)[cH:26][cH:27]2)[CH2:20]1)=[O:35].[C:43]([CH3:44])([CH3:45])([CH3:46])[Si:47]([CH3:48])([CH3:49])[Cl:50].[Na+:37].[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1.[OH-:36].[OH2:57].[nH:38]1[cH:39][cH:40][n:41][cH:42]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][CH:8]([CH2:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1)[CH:16]([O:17][Si:47]([C:43]([CH3:44])([CH3:45])[CH3:46])([CH3:48])[CH3:49])[CH2:20][CH:19]([C:18]([OH:34])=[O:36])[CH2:21][c:22]1[cH:23][cH:24][c:25](-[c:28]2[n:29][cH:30][cH:31][cH:32][cH:33]2)[cH:26][cH:27]1)=[O:35]