HRID2141476

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2756050

tert-Butyl hydrogen (4-aminocyclohexyl)carbonimidate

C11H22N2O2

HCID11435243

2-chloro-5-fluoronicotinic acid

C6H3ClFNO2

PRODUCTS

产物

HCID20872671

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d84a608e9f064ca79b5cd1c8f8578010
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

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