HRID302618

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID239041

2-Propyn-1-amine

C3H5N

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

HCID2724700

未命名化合物

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：C#CCNC(=O)Cc1cc(N)ccc1S(=O)(=O)Nc1ccc2c(c1)B(O)OC2

HCID86655218

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6e89c64e6a93410a9b273fa923bba81e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:26]([C:27]#[CH:28])[NH2:29].[CH2:63]([N:64]([CH2:65][CH3:66])[CH2:67][CH3:68])[CH3:69].[CH3:75][CH2:76][O:77][C:78]([CH3:79])=[O:80].[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:70]=[CH:71][N:72]([CH3:73])[CH3:74].[P-:30]([F:31])([F:32])([F:33])([F:34])([F:35])[F:36].[n:37]1([O:38][P+:39]([N:40]2[CH2:41][CH2:42][CH2:43][CH2:44]2)([N:45]2[CH2:46][CH2:47][CH2:48][CH2:49]2)[N:50]2[CH2:51][CH2:52][CH2:53][CH2:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][c:60]2[n:61][n:62]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])[NH:29][CH2:26][C:27]#[CH:28])[cH:7]1