HRID945185

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

结构：CN1CCN(c2nc(-c3ccc(C(=O)O)cc3)cs2)CC1

HCID11652405

4-[2-(4-Methyl-piperazin-1-yl)-thiazol-4-yl]-benzoic acid

C15H17N3O2S

HCID15176238

未命名化合物

PRODUCTS

生成物

结构：CN1CCN(c2nc(-c3ccc(C(=O)NC4(C(=O)OCc5ccccc5)CCCCC4)cc3)cs2)CC1

HCID57672820

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13b63514613d4cb8abc2fe94f564c3de
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

[BrH:13].[CH2:2]([N:3]=[C:4]=[N:5][CH2:6][CH2:7][CH2:8][N:9]([CH3:10])[CH3:11])[CH3:12].[CH3:14][N:15]1[CH2:16][CH2:17][N:18]([c:21]2[s:22][cH:23][c:24](-[c:26]3[cH:27][cH:28][c:29]([C:30](=[O:31])[OH:32])[cH:33][cH:34]3)[n:25]2)[CH2:19][CH2:20]1.[CH3:71][N:72]([CH3:73])[CH:74]=[O:75].[CH:62]([N:63]([CH2:64][CH3:65])[CH:66]([CH3:67])[CH3:68])([CH3:69])[CH3:70].[ClH:1].[OH:35][n:36]1[c:37]2[cH:38][cH:39][cH:40][cH:41][c:42]2[n:43][n:44]1.[c:45]1([CH2:51][O:52][C:53](=[O:54])[C:55]2([NH2:61])[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]2)[cH:46][cH:47][cH:48][cH:49][cH:50]1>>[CH3:14][N:15]1[CH2:16][CH2:17][N:18]([c:21]2[s:22][cH:23][c:24](-[c:26]3[cH:27][cH:28][c:29]([C:30](=[O:31])[NH:61][C:55]4([C:53]([O:52][CH2:51][c:45]5[cH:46][cH:47][cH:48][cH:49][cH:50]5)=[O:54])[CH2:56][CH2:57][CH2:58][CH2:59][CH2:60]4)[cH:33][cH:34]3)[n:25]2)[CH2:19][CH2:20]1