HRID2343412

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID6395

Methanesulfonic acid

CH4O3S

结构：CN1c2cc(CO)ccc2C(NC(=O)CC(NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2)CS1(=O)=O

HCID68926983

未命名化合物

PRODUCTS

生成物

结构：CN1c2cc(CN)ccc2C(NC(=O)CC(NS(=O)(=O)c2ccc3ccccc3c2)c2ccccc2)CS1(=O)=O

HCID68925944

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6380ab88ed74be5afec72df4bdf762e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH3:41][S:42]([OH:43])(=[O:44])=[O:45].[NH3:46].[OH:1][CH2:2][c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:40]1)[N:8]([CH3:39])[S:9](=[O:37])(=[O:38])[CH2:10][CH:11]2[NH:12][C:13]([CH2:14][CH:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[NH:22][S:23](=[O:24])(=[O:25])[c:26]1[cH:27][c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[cH:34][cH:35]1)=[O:36]>>[CH2:2]([c:3]1[cH:4][cH:5][c:6]2[c:7]([cH:40]1)[N:8]([CH3:39])[S:9](=[O:37])(=[O:38])[CH2:10][CH:11]2[NH:12][C:13]([CH2:14][CH:15]([c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1)[NH:22][S:23](=[O:24])(=[O:25])[c:26]1[cH:27][c:28]2[cH:29][cH:30][cH:31][cH:32][c:33]2[cH:34][cH:35]1)=[O:36])[NH2:46]