HRID675483

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID923

Sodium ion

Na+

HCID946

Nitrite ion

NO2-

HCID7918

Acetic anhydride

C4H6O3

结构：O=C(NCc1ccccc1)C(C1CCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21

HCID66619313

未命名化合物

PRODUCTS

生成物

结构：O=NN(Cc1ccccc1)C(=O)C(C1CCCC1)n1c(-c2ccc(Cl)cc2)nc2cc(F)c(F)cc21

HCID86639902

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-283a044fa82846668816aa35c5fa5596
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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