HRID2152063

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID9877845

(4-amino-benzyl)-methyl-(tetrahydro-pyran -4-yl)-amine

C13H20N2O

结构：Cc1ccc(-c2ccc3nc(C)c(C(=O)O)cc3c2)cc1

HCID22990203

6-(4-Methylphenyl)-2-methylquinoline-3-carboxylic acid

C18H15NO2

PRODUCTS

生成物

结构：Cc1ccc(-c2ccc3nc(C)c(C(=O)Nc4ccc(CN(C)C5CCOCC5)cc4)cc3c2)cc1

HCID18472458

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-38fd77956402492c89026060ae29d364
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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