HRID2155865

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

结构：CN(C)[P+](On1nnc2ccccc21)(N(C)C)N(C)C

HCID124335

Benzotriazol-1-yloxy-tris(dimethylamino)phosphonium

C12H22N6OP+

HCID392871

1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid

C11H19NO4

结构：Nc1cc(Oc2ccc(NC(=S)NC(=O)Cc3ccc(F)cc3)cc2F)ccn1

HCID23153017

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cc(Oc3ccc(NC(=S)NC(=O)Cc4ccc(F)cc4)cc3F)ccn2)CC1

HCID23153119

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d68e007ecef74efa80ed6f8966ff7497
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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