HRID212571

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

结构：COC(=O)c1ccc(Sc2ccc(NC(=O)OC(C)(C)C)cc2)c(Nc2ncnc3nc(C(C)(C)C)ccc23)c1

HCID67040720

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccc(Sc2ccc(C(=O)O)cc2Nc2ncnc3nc(C(C)(C)C)ccc23)cc1

HCID67040594

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8783a940e3114ad4bb87991d855f5857
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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