HRID98303

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

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID7839

1,2-Dibromoethane

C2H4Br2

HCID19660

Carbonate

CO3-2

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(=NOCCBr)c1csc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)n1

HCID53679114

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6b6216ec99d24a25b6ced86e06784911
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:46][CH2:47][CH2:48][Br:49].[C:1](=[O:2])([O-:3])[O-:4].[C:8]([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)([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[NH:27][c:28]1[s:29][cH:30][c:31]([C:33]([C:34](=[O:35])[O:36][CH2:37][CH3:38])=[N:39][OH:40])[n:32]1.[CH2:52]([Cl:53])[Cl:54].[CH3:41][N:42]([CH3:43])[CH:44]=[O:45].[CH3:50][OH:51].[ClH:7].[K+:5].[K+:6].[OH2:55]>>[C:8]([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)([c:21]1[cH:22][cH:23][cH:24][cH:25][cH:26]1)[NH:27][c:28]1[s:29][cH:30][c:31]([C:33]([C:34](=[O:35])[O:36][CH2:37][CH3:38])=[N:39][O:40][CH2:48][CH2:47][Br:46])[n:32]1