HRID945309

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID962

Water

H2O

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID97806

N-Benzyloxycarbonyl-DL-methionine

C13H17NO4S

HCID123538

3-Bromo-o-toluidine

C7H8BrN

HCID181649

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

C5H4N4O

PRODUCTS

生成物

结构：CSCCC(NC(=O)OCc1ccccc1)C(=O)Nc1cccc(Br)c1C

HCID66606795

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6fa9418b20b644babc20ffb7b7652332
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:1][c:2]1[c:3]([CH3:9])[c:4]([NH2:5])[cH:6][cH:7][cH:8]1.[CH2:10]([c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[O:17][C:18](=[O:19])[NH:20][CH:21]([C:22](=[O:23])[OH:24])[CH2:25][CH2:26][S:27][CH3:28].[CH2:48]([Cl:49])[CH2:50][Cl:51].[CH3:52][C:53]#[N:54].[CH3:56][CH2:57][O:58][C:59](=[O:60])[CH3:61].[CH:39]([N:40]([CH:41]([CH3:42])[CH3:43])[CH2:44][CH3:45])([CH3:46])[CH3:47].[OH2:55].[OH:29][n:30]1[c:31]2[n:32][cH:33][cH:34][cH:35][c:36]2[n:37][n:38]1>>[Br:1][c:2]1[c:3]([CH3:9])[c:4]([NH:5][C:22]([CH:21]([NH:20][C:18]([O:17][CH2:10][c:11]2[cH:12][cH:13][cH:14][cH:15][cH:16]2)=[O:19])[CH2:25][CH2:26][S:27][CH3:28])=[O:23])[cH:6][cH:7][cH:8]1