HRID684613

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6422

未命名化合物

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID10700

2-Thiophenecarboxylic acid

C5H4O2S

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID130500

未命名化合物

结构：CCc1cc(C(=O)NCc2cccc(O)c2)sc1C(=O)NC(CN)C(=O)OC

HCID77430718

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(C(=O)NCc2cccc(O)c2)sc1C(=O)NC(CNC(=O)c1cccs1)C(=O)OC

HCID68226781

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-38a9941e094c46f68584b6e9be5a5011
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

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