HRID286252

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：CCC(O)(C=Cc1ccc(C(CC)(CC)c2ccc(-c3cc(CC(=O)OC)cc(OC)c3O)c(C)c2)cc1C)CC

HCID67065235

未命名化合物

PRODUCTS

生成物

结构：CCC(O)(C=Cc1ccc(C(CC)(CC)c2ccc(-c3cc(CC(=O)O)cc(OC)c3O)c(C)c2)cc1C)CC

HCID67065162

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3734c918a3e343dba8d7d18d79fac790
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH3:3][O:4][C:5]([CH2:6][c:7]1[cH:8][c:9](-[c:16]2[c:17]([CH3:42])[cH:18][c:19]([C:22]([CH2:23][CH3:24])([c:25]3[cH:26][c:27]([CH3:39])[c:28]([CH:31]=[CH:32][C:33]([CH2:34][CH3:35])([OH:36])[CH2:37][CH3:38])[cH:29][cH:30]3)[CH2:40][CH3:41])[cH:20][cH:21]2)[c:10]([OH:15])[c:11]([O:13][CH3:14])[cH:12]1)=[O:43].[CH3:51][OH:52].[Cl-:44].[NH4+:45].[Na+:2].[O:46]1[CH2:47][CH2:48][CH2:49][CH2:50]1.[OH-:1]>>[O:4]=[C:5]([CH2:6][c:7]1[cH:8][c:9](-[c:16]2[c:17]([CH3:42])[cH:18][c:19]([C:22]([CH2:23][CH3:24])([c:25]3[cH:26][c:27]([CH3:39])[c:28]([CH:31]=[CH:32][C:33]([CH2:34][CH3:35])([OH:36])[CH2:37][CH3:38])[cH:29][cH:30]3)[CH2:40][CH3:41])[cH:20][cH:21]2)[c:10]([OH:15])[c:11]([O:13][CH3:14])[cH:12]1)[OH:43]