HRID676810

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID81531

Diisopropylethylamine

C8H19N

HCID4453465

未命名化合物

HCID21264544

未命名化合物

HCID178418300

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1C(C)C(=O)N1CC2C(=O)CCC(c3ccccc3)(c3ccccc3)C2C1

HCID18994351

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c77bfba7f131482db60217d5355131b4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:11][O:12][c:13]1[c:14]([CH:19]([C:20](=[O:21])[OH:22])[CH3:23])[cH:15][cH:16][cH:17][cH:18]1.[CH3:71][N:72]([CH3:73])[CH:74]=[O:75].[CH3:76][CH2:77][O:78][C:79](=[O:80])[CH3:81].[CH:24]1([N:25]=[C:26]=[N:27][CH:28]2[CH2:29][CH2:30][CH2:31][CH2:32][CH2:33]2)[CH2:34][CH2:35][CH2:36][CH2:37][CH2:38]1.[CH:62]([N:63]([CH2:64][CH3:65])[CH:66]([CH3:67])[CH3:68])([CH3:69])[CH3:70].[ClH:39].[OH:1][c:2]1[c:3]2[n:4][n:5][nH:6][c:7]2[cH:8][cH:9][cH:10]1.[c:40]1([C:46]2([c:56]3[cH:57][cH:58][cH:59][cH:60][cH:61]3)[CH2:47][CH2:48][C:49](=[O:55])[CH:50]3[CH2:51][NH:52][CH2:53][CH:54]23)[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[CH3:11][O:12][c:13]1[c:14]([CH:19]([C:20](=[O:22])[N:52]2[CH2:51][CH:50]3[C:49](=[O:55])[CH2:48][CH2:47][C:46]([c:40]4[cH:41][cH:42][cH:43][cH:44][cH:45]4)([c:56]4[cH:57][cH:58][cH:59][cH:60][cH:61]4)[CH:54]3[CH2:53]2)[CH3:23])[cH:15][cH:16][cH:17][cH:18]1