HRID98750

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID18869

1-Benzoyl-2-isopropylhydrazine

C10H14N2O

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID3365714

(2-sec-butylphenoxy)acetic acid

C12H16O3

PRODUCTS

生成物

结构：CCC(C)c1ccccc1OCC(=O)N(NC(=O)c1ccccc1)C(C)C

HCID11566858

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-32eb5d1efb8447cdb68d1a9246263050
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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