HRID143474

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

2 次

HCID6344

Dichloromethane

CH2Cl2

HCID7937

2,6-Dimethylpyridine

C7H9N

HCID15908

1-Ethyl-3-(3'-dimethylaminopropyl)carbodiimide

C8H17N3

HCID111314

DL-Alanine methyl ester

C4H9NO2

HCID181649

3H-1,2,3-Triazolo[4,5-b]pyridine, 3-hydroxy-

C5H4N4O

结构：O=C(O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12

HCID53465279

Lesinurad

C17H14BrN3O2S

PRODUCTS

生成物

结构：COC(=O)C(C)NC(=O)CSc1nnc(Br)n1-c1ccc(C2CC2)c2ccccc12

HCID57811386

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bba06779f68c41578906aa79d496ec14
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:39][c:40]1[n:41](-[c:50]2[cH:51][cH:52][c:53]([CH:60]3[CH2:61][CH2:62]3)[c:54]3[cH:55][cH:56][cH:57][cH:58][c:59]23)[c:42]([S:45][CH2:46][C:47](=[O:48])[OH:49])[n:43][n:44]1.[CH2:10]([N:11]=[C:12]=[N:13][CH2:14][CH2:15][CH2:16][N:17]([CH3:18])[CH3:19])[CH3:20].[CH3:2][O:3][C:4]([CH:5]([NH2:6])[CH3:7])=[O:8].[Cl:63][CH2:64][Cl:65].[ClH:1].[ClH:9].[OH:21][n:22]1[c:23]2[n:24][cH:25][cH:26][cH:27][c:28]2[n:29][n:30]1.[n:31]1[c:32]([CH3:33])[cH:34][cH:35][cH:36][c:37]1[CH3:38]>>[CH3:2][O:3][C:4]([CH:5]([NH:6][C:47]([CH2:46][S:45][c:42]1[n:41](-[c:50]2[cH:51][cH:52][c:53]([CH:60]3[CH2:61][CH2:62]3)[c:54]3[cH:55][cH:56][cH:57][cH:58][c:59]23)[c:40]([Br:39])[n:44][n:43]1)=[O:48])[CH3:7])=[O:8]