HRID100585

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID938

Nicotinic acid

C6H5NO2

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID15908

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

C8H17N3

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2756050

tert-Butyl hydrogen (4-aminocyclohexyl)carbonimidate

C11H22N2O2

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCC(NC(=O)c2cccnc2)CC1

HCID21882577

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-10af2dfbbfe84712ac48d92160744375
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

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