HRID2146804

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID19660

Carbonate

CO3-2

结构：Cc1ccc(-c2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ncc(C#C[Si](C)(C)C)cn2)cc1

HCID19689523

未命名化合物

PRODUCTS

生成物

结构：C#Cc1cnc(OCCOc2ncnc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c2-c2ccc(C)cc2)nc1

HCID19689459

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5366ccd188434c90ba143153dac00165
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

[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[n:16][cH:17][n:18][c:19]([O:28][CH2:29][CH2:30][O:31][c:32]3[n:33][cH:34][c:35]([C:38]#[C:39][Si:40]([CH3:41])([CH3:42])[CH3:43])[cH:36][n:37]3)[c:20]2-[c:21]2[cH:22][cH:23][c:24]([CH3:27])[cH:25][cH:26]2)[cH:9][cH:10]1.[C:44](=[O:45])([O-:46])[O-:47].[CH3:50][OH:51].[Cl-:52].[K+:48].[K+:49].[NH4+:53]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([S:11](=[O:12])(=[O:13])[NH:14][c:15]2[n:16][cH:17][n:18][c:19]([O:28][CH2:29][CH2:30][O:31][c:32]3[n:33][cH:34][c:35]([C:38]#[CH:39])[cH:36][n:37]3)[c:20]2-[c:21]2[cH:22][cH:23][c:24]([CH3:27])[cH:25][cH:26]2)[cH:9][cH:10]1