HRID88122

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8900

Heptane

C7H16

结构：CCOC(=O)C(=Cc1ccc(OCc2nc(-c3ccccc3C)oc2C)cc1C)OCC

HCID69282193

未命名化合物

PRODUCTS

生成物

结构：CCOC(=Cc1ccc(OCc2nc(-c3ccccc3C)oc2C)cc1C)C(=O)O

HCID69280597

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9096087971744c279a79cd3c4a3c0cb9
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

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