HRID142372

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID19660

Carbonate

CO3-2

HCID3667935

未命名化合物

结构：O=C1NC(Cc2ccccc2)C(COS(=O)(=O)c2ccc([N+](=O)[O-])cc2)O1

HCID22362142

未命名化合物

PRODUCTS

生成物

HCID8740

Benzenesulfonic acid, 4-nitro-

C6H5NO5S

结构：CC(C)(C)NC(=O)C1CC2CCCCC2CN1CC1OC(=O)NC1Cc1ccccc1

HCID178449248

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5e12211bcb0142c6b9403eb41876911f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:28]([CH3:29])([CH3:30])([CH3:31])[NH:32][C:33](=[O:34])[CH:35]1[NH:36][CH2:37][CH:38]2[CH2:39][CH2:40][CH2:41][CH2:42][CH:43]2[CH2:44]1.[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[NH:9][C:10](=[O:27])[O:11][CH:12]1[CH2:13][O:14][S:15](=[O:16])(=[O:17])[c:18]1[cH:19][cH:20][c:21]([N+:24](=[O:25])[O-:26])[cH:22][cH:23]1.[CH3:51][CH:52]([CH3:53])[CH2:54][C:55](=[O:56])[CH3:57].[ClH:58].[Na+:45].[Na+:46].[O-:47][C:48](=[O:49])[O-:50]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[CH:8]1[NH:9][C:10](=[O:27])[O:11][CH:12]1[CH2:13][N:36]1[CH:35]([C:33]([NH:32][C:28]([CH3:29])([CH3:30])[CH3:31])=[O:34])[CH2:44][CH:43]2[CH:38]([CH2:37]1)[CH2:39][CH2:40][CH2:41][CH2:42]2.[O:14]=[S:15](=[O:16])([OH:17])[c:18]1[cH:19][cH:20][c:21]([N+:24](=[O:25])[O-:26])[cH:22][cH:23]1