HRID691605

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9788

Difluoroacetic acid

C2H2F2O2

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：NC1CC(=O)N(c2ccc(OCc3cccc(F)c3)cc2)C1

HCID67411334

未命名化合物

PRODUCTS

生成物

结构：O=C(NC1CC(=O)N(c2ccc(OCc3cccc(F)c3)cc2)C1)C(F)F

HCID68614346

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f865dac816c42ceab5600b8fc00e09b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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