HRID139912

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID7196

1,3-Benzodioxole-5-carboxylic acid

C8H6O4

HCID8471

Triethylamine

C6H15N

HCID10868

Dicyclohexylcarbodiimide

C13H22N2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID222863

ethyl 1-aminocyclohexanecarboxylate

C9H17NO2

PRODUCTS

生成物

结构：CCOC(=O)C1(NC(=O)c2ccc3c(c2)OCO3)CCCCC1

HCID23297898

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7c9223114954440e97fbdccc7ddbbb93
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH2:1]1[O:2][c:3]2[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:9][cH:10][c:11]2[O:12]1.[CH3:13][CH2:14][N:15]([CH2:16][CH3:17])[CH2:18][CH3:19].[CH:31]1([N:32]=[C:33]=[N:34][CH:35]2[CH2:36][CH2:37][CH2:38][CH2:39][CH2:40]2)[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]1.[Cl:59][CH2:60][Cl:61].[ClH:46].[NH2:47][C:48]1([C:54](=[O:55])[O:56][CH2:57][CH3:58])[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]1.[OH2:20].[OH:21][n:22]1[c:23]2[cH:24][cH:25][cH:26][cH:27][c:28]2[n:29][n:30]1>>[CH2:1]1[O:2][c:3]2[cH:4][c:5]([C:6](=[O:8])[NH:47][C:48]3([C:54](=[O:55])[O:56][CH2:57][CH3:58])[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53]3)[cH:9][cH:10][c:11]2[O:12]1