HRID299594

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1049

Pyridine

C5H5N

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11992

2-Bromoaniline

C6H6BrN

HCID15908

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

C8H17N3

结构：CC(C)(C)OC(=O)N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C(CC(=O)O)C1

HCID2756796

[4-(tert-Butoxycarbonyl)-1-{[(9H-fluoren-9-yl)methoxy]carbonyl}piperazin-2-yl]acetic acid

C26H30N2O6

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C(CC(=O)Nc2ccccc2Br)C1

HCID58284930

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-38f4f1a85a3a47459a97863884d8e886
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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