HRID318105

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID102313

O-Benzylhydroxylamine

C7H9NO

反应SMILES：Cc1c(C)c2c(c(C)c1O)C(=O)CC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2

HCID9825241

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1c(C)c2c(c(C)c1O)C(=NOCc1ccccc1)CC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2

HCID173366021

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-efeaea80b888409782f5407f09e136b7
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

[C:45](=[O:46])([O-:47])[O-:48].[CH2:34]([c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1)[O:41][NH2:42].[CH3:43][OH:44].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[ClH:33].[K+:49].[K+:50].[OH:1][c:2]1[c:3]([CH3:32])[c:4]2[c:9]([c:10]([CH3:13])[c:11]1[CH3:12])[O:8][C:7]([CH3:14])([CH2:15][O:16][c:17]1[cH:18][cH:19][c:20]([CH2:21][CH:22]3[C:23](=[O:28])[NH:24][C:25](=[O:27])[S:26]3)[cH:29][cH:30]1)[CH2:6][C:5]2=[O:31]>>[OH:1][c:2]1[c:3]([CH3:32])[c:4]2[c:9]([c:10]([CH3:13])[c:11]1[CH3:12])[O:8][C:7]([CH3:14])([CH2:15][O:16][c:17]1[cH:18][cH:19][c:20]([CH2:21][CH:22]3[C:23](=[O:28])[NH:24][C:25](=[O:27])[S:26]3)[cH:29][cH:30]1)[CH2:6][C:5]2=[N:42][O:41][CH2:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1