HRID940013

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1047

Pyrazinoic acid

C5H4N2O2

HCID6344

Dichloromethane

CH2Cl2

HCID7972

4-Methylmorpholine

C5H11NO

HCID8857

Ethyl acetate

C4H8O2

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

结构：COC(=O)C(NC(C(N)C1CCCCC1)C(F)(F)F)C(C)(C)C

HCID66704763

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C(NC(C(NC(=O)c1cnccn1)C1CCCCC1)C(F)(F)F)C(C)(C)C

HCID66705176

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6053d2478d2a4b0c851e8ab53efaad86
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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