HRID201309

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6212

Chloroform

CHCl3

HCID85247

Silane, iodotrimethyl-

C3H9ISi

结构：CCc1nc2cccc(CN(CCCCCNS(=O)(=O)C(F)(F)F)C(=O)OC(C)(C)C)n2c1C(=O)C(Cl)(Cl)Cl

HCID21190286

未命名化合物

PRODUCTS

生成物

结构：CCc1nc2cccc3n2c1C(=O)N(CCCCCNS(=O)(=O)C(F)(F)F)C3

HCID21190089

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-efa4e2f7c28e49dc938fa66801599817
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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