HRID176538

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID4067665

Methoxyazanium

CH6NO+

结构：COC1=CC(=O)c2c(O)c3c(c(O)c2C1=O)C(=O)C1(CCc2cc4cc(C=O)[nH]c(=O)c4c(O)c21)C3=O

HCID178493335

未命名化合物

PRODUCTS

生成物

结构：CON=Cc1cc2cc3c(c(O)c2c(=O)[nH]1)C1(CC3)C(=O)c2c(O)c3c(c(O)c2C1=O)C(=O)C(OC)=CC3=O

HCID178502630

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-734cb092629340bc86772452995fe79b
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

[CH3:39][O:40][NH3+:41].[Cl-:38].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH2:48].[OH:1][c:2]1[c:3]2[c:4]([c:5]([OH:16])[c:6]3[c:11]1[C:10](=[O:12])[C:9]([O:13][CH3:14])=[CH:8][C:7]3=[O:15])[C:17](=[O:37])[C:18]1([CH2:19][CH2:20][c:21]3[cH:22][c:23]4[cH:24][c:25]([CH:33]=[O:34])[nH:26][c:27](=[O:32])[c:28]4[c:29]([OH:31])[c:30]31)[C:35]2=[O:36].[cH:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1>>[OH:1][c:2]1[c:3]2[c:4]([c:5]([OH:16])[c:6]3[c:11]1[C:10](=[O:12])[C:9]([O:13][CH3:14])=[CH:8][C:7]3=[O:15])[C:17](=[O:37])[C:18]1([CH2:19][CH2:20][c:21]3[cH:22][c:23]4[cH:24][c:25]([CH:33]=[N:41][O:40][CH3:39])[nH:26][c:27](=[O:32])[c:28]4[c:29]([OH:31])[c:30]31)[C:35]2=[O:36]