HRID1546461

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

2 次

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID12082468

未命名化合物

结构：CCOC(=O)C(O[Si](C)(C)C(C)(C)C)C(N)c1ccccc1

HCID77632775

未命名化合物

PRODUCTS

生成物

结构：Cc1cn2c(n1)C1=C(CC2)C(=O)C(O[Si](C)(C)C(C)(C)C)C(c2ccccc2)N1

HCID21873920

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-24b5757c91b546408af63264bf4d9e54
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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