HRID103387

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID90290

tert-Butyl 2-bromo-2-methylpropionate

C8H15BrO2

结构：CCOC(=O)C(=NO)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

HCID6802348

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(=NOC(C)(C)C(=O)OC(C)(C)C)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

HCID54508061

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-976deeb3cd8649b1a79e95a2aa7d8a6c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:41][C:42]([C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])([CH3:50])[CH3:51].[C:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[NH:21][c:22]1[s:23][cH:24][c:25]([C:27]([C:28](=[O:29])[O:30][CH2:31][CH3:32])=[N:33][OH:34])[n:26]1.[C:35](=[O:36])([O-:37])[O-:38].[CH3:52][N:53]([CH3:54])[CH:55]=[O:56].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[ClH:1].[K+:39].[K+:40].[OH2:63]>>[C:2]([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)([c:9]1[cH:10][cH:11][cH:12][cH:13][cH:14]1)([c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]1)[NH:21][c:22]1[s:23][cH:24][c:25]([C:27]([C:28](=[O:29])[O:30][CH2:31][CH3:32])=[N:33][O:34][C:42]([C:43](=[O:44])[O:45][C:46]([CH3:47])([CH3:48])[CH3:49])([CH3:50])[CH3:51])[n:26]1