HRID134811

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：CC(=O)N1CCC(c2ccc(OCC(O)CO)c(C)c2)(c2ccc(OCC(O)C(C)(C)C)c(C)c2)CC1

HCID178473780

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C2(c3ccc(OCC(O)C(C)(C)C)c(C)c3)CCNCC2)ccc1OCC(O)CO

HCID66890964

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50fea318edc74a4b8d503a09370b683d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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