HRID2349287

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID335255

1-(tert-Butoxycarbonyl)-4-hydroxyproline

C10H17NO5

HCID4574913

未命名化合物

HCID57893095

1-Chloro-6-methoxy-3-methylisoquinoline

C11H10ClNO

PRODUCTS

生成物

结构：COc1ccc2c(OC3CC(C(=O)O)N(C(=O)OC(C)(C)C)C3)nc(C)cc2c1

HCID66786746

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ce2553f11baa45e4ba1975614405fe9e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[N:8]1[CH:9]([C:10](=[O:11])[OH:12])[CH2:13][CH:14]([OH:16])[CH2:15]1.[CH3:17][C:18]([CH3:19])([O-:20])[CH3:21].[CH3:50][S:51]([CH3:52])=[O:53].[Cl:23][c:24]1[n:25][c:26]([CH3:36])[cH:27][c:28]2[cH:29][c:30]([O:34][CH3:35])[cH:31][cH:32][c:33]12.[K+:22].[OH:37][C:38]([CH2:39][C:40]([C:41](=[O:42])[OH:43])([CH2:44][C:45](=[O:46])[OH:47])[OH:48])=[O:49]>>[C:1](=[O:2])([O:3][C:4]([CH3:5])([CH3:6])[CH3:7])[N:8]1[CH:9]([C:10](=[O:11])[OH:12])[CH2:13][CH:14]([O:16][c:24]2[n:25][c:26]([CH3:36])[cH:27][c:28]3[cH:29][c:30]([O:34][CH3:35])[cH:31][cH:32][c:33]23)[CH2:15]1