HRID944177

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)NC(CC(=O)OCc1ccccc1)C(=O)O

HCID82036

未命名化合物

HCID130500

未命名化合物

结构：NC(CCc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc2ncccc2c1

HCID72272263

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(CC(=O)OCc1ccccc1)C(=O)NC(CCc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc2ncccc2c1

HCID178453561

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-75cc186cc2f749cf82d37bfe21946dfd
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

[B-:60]([F:61])([F:62])([F:63])[F:64].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH2:10][CH:11]([C:12](=[O:13])[OH:14])[NH:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23].[CH:24]([N:25]([CH2:26][CH3:27])[CH:28]([CH3:29])[CH3:30])([CH3:31])[CH3:32].[Cl:82][CH2:83][Cl:84].[NH2:33][CH:34]([C:35](=[O:36])[NH:37][c:38]1[cH:39][c:40]2[cH:41][cH:42][cH:43][n:44][c:45]2[cH:46][cH:47]1)[CH2:48][CH2:49][c:50]1[cH:51][cH:52][c:53]([C:56]([F:57])([F:58])[F:59])[cH:54][cH:55]1.[n:65]1([O:66][C:67]([N:68]([CH3:69])[CH3:70])=[N+:71]([CH3:72])[CH3:73])[c:74]2[cH:75][cH:76][cH:77][cH:78][c:79]2[n:80][n:81]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9]([CH2:10][CH:11]([C:12](=[O:14])[NH:33][CH:34]([C:35](=[O:36])[NH:37][c:38]1[cH:39][c:40]2[cH:41][cH:42][cH:43][n:44][c:45]2[cH:46][cH:47]1)[CH2:48][CH2:49][c:50]1[cH:51][cH:52][c:53]([C:56]([F:57])([F:58])[F:59])[cH:54][cH:55]1)[NH:15][C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])=[O:23]