HRID1537078

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

结构：COc1ccc(-c2ccc3cc(C(=O)O)ccc3c2)cc1C12CC3CC(CC(C3)C1)C2

HCID60164

Adapalene

C28H28O3

HCID5360545

Sodium

PRODUCTS

生成物

HCID60164

Adapalene

C28H28O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-685f36422fff4e9e922930b88e5e6ef4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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