HRID1135837

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID143452

tert-Butyl piperazine-1-carboxylate

C9H18N2O2

结构：O=C(O)c1cnc(NC(=O)N(C2CCCCC2)C2CCCCC2)s1

HCID11405447

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CCN(C(=O)c2cnc(NC(=O)N(C3CCCCC3)C3CCCCC3)s2)CC1

HCID57883850

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-027e82edf5b84f03b370e908e7edca99
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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