HRID696997

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID122831

5-Methyl-2-pyrazinecarboxylic acid

C6H6N2O2

结构：CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCNC3)cc1

HCID46913071

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)Nc1ccc(-c2nc3c(c(N4CCOCC4)n2)CCN(C(=O)c2cnc(C)cn2)C3)cc1

HCID59239255

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-31255c68e6d347c2b1e99925104363fb
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

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