HRID145483

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

结构：c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

HCID2724700

未命名化合物

HCID22500951

3,3-Difluorocyclobutan-1-amine

C4H7F2N

结构：Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)B(O)OC3)c(CC(=O)O)c1

HCID53234452

未命名化合物

PRODUCTS

生成物

结构：Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)B(O)OC3)c(CC(=O)NC2CC(F)(F)C2)c1

HCID67311424

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80a5498dedc74d74a5c35d1a14369a0e
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

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