HRID685816

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1049

Pyridine

C5H5N

HCID69569

Acetic acid, trifluoro-, 4-nitrophenyl ester

C8H4F3NO4

结构：CCCCCCC(C)(C)c1cc(OCc2ccccc2)c2c(c1)OC(C)(C)CC2C(=O)O

HCID13364578

未命名化合物

PRODUCTS

生成物

结构：CCCCCCC(C)(C)c1cc(OCc2ccccc2)c2c(c1)OC(C)(C)CC2C(=O)Oc1ccc([N+](=O)[O-])cc1

HCID13364580

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c5888d6538c47b4b668cb3195666bb2
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)[O:8][c:9]1[cH:10][c:11]([C:24]([CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30])([CH3:31])[CH3:32])[cH:12][c:13]2[c:14]1[CH:15]([C:21](=[O:22])[OH:23])[CH2:16][C:17]([CH3:19])([CH3:20])[O:18]2.[F:33][C:34]([F:35])([F:36])[C:37]([O:47][c:38]1[cH:39][cH:40][c:41]([N+:44](=[O:45])[O-:46])[cH:42][cH:43]1)=[O:48].[cH:49]1[cH:50][cH:51][n:52][cH:53][cH:54]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([C:24]([CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH3:30])([CH3:31])[CH3:32])[cH:12][c:13]2[c:14]1[CH:15]([C:21](=[O:22])[O:23][c:38]1[cH:39][cH:40][c:41]([N+:44](=[O:45])[O-:46])[cH:42][cH:43]1)[CH2:16][C:17]([CH3:19])([CH3:20])[O:18]2