HRID292228

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID311

Citric acid

C6H8O7

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：CCc1cnc(N(CCc2csc(SC(C)(C)C(=O)C(C)(C)C)n2)Cc2ccc(C(=O)OC)cc2)nc1

HCID67397350

未命名化合物

PRODUCTS

生成物

结构：CCc1cnc(N(CCc2csc(SC(C)(C)C(=O)C(C)(C)C)n2)Cc2ccc(C(=O)O)cc2)nc1

HCID67397918

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cfcc76a6d44942008f4aea53a2b431a0
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

[CH3:1][O:2][C:3]([c:4]1[cH:5][cH:6][c:7]([CH2:10][N:11]([c:12]2[n:13][cH:14][c:15]([CH2:18][CH3:19])[cH:16][n:17]2)[CH2:20][CH2:21][c:22]2[n:23][c:24]([S:27][C:28]([C:29](=[O:30])[C:31]([CH3:32])([CH3:33])[CH3:34])([CH3:35])[CH3:36])[s:25][cH:26]2)[cH:8][cH:9]1)=[O:37].[CH3:53][OH:54].[Na+:39].[O:55]1[CH2:56][CH2:57][CH2:58][CH2:59]1.[OH-:38].[OH:40][C:41]([CH2:42][C:43]([C:44](=[O:45])[OH:46])([CH2:47][C:48](=[O:49])[OH:50])[OH:51])=[O:52]>>[O:2]=[C:3]([c:4]1[cH:5][cH:6][c:7]([CH2:10][N:11]([c:12]2[n:13][cH:14][c:15]([CH2:18][CH3:19])[cH:16][n:17]2)[CH2:20][CH2:21][c:22]2[n:23][c:24]([S:27][C:28]([C:29](=[O:30])[C:31]([CH3:32])([CH3:33])[CH3:34])([CH3:35])[CH3:36])[s:25][cH:26]2)[cH:8][cH:9]1)[OH:37]