HRID122494

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

结构：CCOC(=O)n1nc(OC2OC(COC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C2OC(=O)C(C)(C)C)c(Cc2ccccc2)c1C(C)C

HCID178473419

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1[nH]nc(OC2OC(COC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C(OC(=O)C(C)(C)C)C2OC(=O)C(C)(C)C)c1Cc1ccccc1

HCID178440280

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1ff7ab2b01604de2972114a8af5d5a43
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:57](=[O:58])([OH:59])[O-:60].[C:62](=[O:63])([O-:64])[O-:65].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[c:9]([O:21][CH:22]2[CH:23]([O:24][C:25]([C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[CH:31]([O:32][C:33]([C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[CH:39]([O:40][C:41]([C:42]([CH3:43])([CH3:44])[CH3:45])=[O:46])[CH:47]([CH2:49][O:50][C:51]([C:52]([CH3:53])([CH3:54])[CH3:55])=[O:56])[O:48]2)[n:10][n:11]([C:16]([O:17][CH2:18][CH3:19])=[O:20])[c:12]1[CH:13]([CH3:14])[CH3:15].[CH3:69][OH:70].[K+:66].[K+:67].[Na+:61].[OH2:68]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[c:8]1[c:9]([O:21][CH:22]2[CH:23]([O:24][C:25]([C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[CH:31]([O:32][C:33]([C:34]([CH3:35])([CH3:36])[CH3:37])=[O:38])[CH:39]([O:40][C:41]([C:42]([CH3:43])([CH3:44])[CH3:45])=[O:46])[CH:47]([CH2:49][O:50][C:51]([C:52]([CH3:53])([CH3:54])[CH3:55])=[O:56])[O:48]2)[n:10][nH:11][c:12]1[CH:13]([CH3:14])[CH3:15]