HRID320211

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID18363859

未命名化合物

结构：Nc1cccc(-c2cccc3c2C(=Cc2ccc[nH]2)C(=O)N3)c1

HCID53972697

未命名化合物

PRODUCTS

生成物

结构：O=C(CNC(=O)c1ccc(S(=O)(=O)F)cc1)Nc1cccc(-c2cccc3c2C(=Cc2ccc[nH]2)C(=O)N3)c1

HCID54065248

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-80a8b3edca004375a958604fc7c4051e
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

[CH3:85][N:86]([CH3:87])[CH:88]=[O:89].[CH3:90][CH2:91][O:92][C:93](=[O:94])[CH3:95].[CH:76]([N:77]([CH2:78][CH3:79])[CH:80]([CH3:81])[CH3:82])([CH3:83])[CH3:84].[F:24][S:25](=[O:26])(=[O:27])[c:28]1[cH:29][cH:30][c:31]([C:32](=[O:33])[NH:34][CH2:35][C:36](=[O:37])[OH:38])[cH:39][cH:40]1.[NH2:1][c:2]1[cH:3][c:4](-[c:8]2[c:9]3[c:13]([cH:14][cH:15][cH:16]2)[NH:12][C:11](=[O:17])[C:10]3=[CH:18][c:19]2[nH:20][cH:21][cH:22][cH:23]2)[cH:5][cH:6][cH:7]1.[OH2:65].[OH:66][n:67]1[c:68]2[cH:69][cH:70][cH:71][cH:72][c:73]2[n:74][n:75]1.[P-:41]([F:42])([F:43])([F:44])([F:45])([F:46])[F:47].[n:48]1([O:49][C:50]([N:51]([CH3:52])[CH3:53])=[N+:54]([CH3:55])[CH3:56])[c:57]2[cH:58][cH:59][cH:60][cH:61][c:62]2[n:63][n:64]1>>[NH:1]([c:2]1[cH:3][c:4](-[c:8]2[c:9]3[c:13]([cH:14][cH:15][cH:16]2)[NH:12][C:11](=[O:17])[C:10]3=[CH:18][c:19]2[nH:20][cH:21][cH:22][cH:23]2)[cH:5][cH:6][cH:7]1)[C:36]([CH2:35][NH:34][C:32]([c:31]1[cH:30][cH:29][c:28]([S:25]([F:24])(=[O:26])=[O:27])[cH:40][cH:39]1)=[O:33])=[O:37]