HRID2145366

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID962

Water

H2O

HCID11110

3,4-Dihydro-6,7-dimethoxy-2-methylisoquinolinium

C12H16NO2+

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

结构：CCOc1c2c(c([N+](=O)[O-])c(OCC)c1OCC)C(=O)OC2

HCID6452177

4,5,6-Triethoxy-7-nitrophthalide

C14H17NO7

PRODUCTS

生成物

结构：CCOc1c(OCC)c2c(c([N+](=O)[O-])c1OCC)C(=O)OC2C1c2cc(OC)c(OC)cc2CCN1C

HCID20560980

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d226398b4be4e6786a72b6b5934a08c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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