HRID190528

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID17986965

未命名化合物

结构：CNC(=O)c1n[nH]c2ccc(NC(=O)C3CCN(CC(=O)O)C3)cc12

HCID57685850

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1n[nH]c2ccc(NC(=O)C3CCN(CC(=O)N4CCC(C#Cc5ccccc5)CC4)C3)cc12

HCID57686471

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6456e9c07d2a4074b4612a5947b080e2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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