HRID2321124

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID2777432

N-{Hydroxy[3-(trifluoromethyl)phenyl]methylidene}glycine

C10H8F3NO3

HCID68765642

未命名化合物

PRODUCTS

生成物

结构：COCC1CC(NC(=O)OC(C)(C)C)CCC1NC(=O)CNC(=O)c1cccc(C(F)(F)F)c1

HCID178494539

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fc255af9825f4964b02206920d88d0ed
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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