HRID1122027

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID787

Hydroxylamine

H3NO

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID1049

Pyridine

C5H5N

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

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(=NO)CC(C)(COc1ccc(CC3SC(=O)NC3=O)cc1)O2

HCID86746108

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-890a7641d88b4743b2d8c594f8110682
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应SMILES

[C:38](=[O:39])([O-:40])[O-:41].[CH3:36][OH:37].[CH3:44][CH2:45][O:46][C:47](=[O:48])[CH3:49].[ClH:33].[K+:42].[K+:43].[NH2:34][OH:35].[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].[cH:50]1[cH:51][cH:52][n:53][cH:54][cH:55]1>>[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:34][OH:35]