HRID665395

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID322802

未命名化合物

HCID13882355

未命名化合物

PRODUCTS

生成物

结构：NC(=O)C(O)C(Cc1ccccc1)NC(=O)C1CCC(=O)N1Cc1ccccc1

HCID77157403

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-63b4b0633e3c4a3b94dedad17d3f11b5
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

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