HRID91617

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID294894

n-boc-gamma-aminobutyric acid

C9H17NO4

结构：N#Cc1ccccc1-c1ccc(C(=O)NCC2CCCN2)c(NCCc2cccc(F)c2)n1

HCID57542535

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCCC(=O)N1CCCC1CNC(=O)c1ccc(-c2ccccc2C#N)nc1NCCc1cccc(F)c1

HCID57542726

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-44cc7c83eee0400385b7a4851ca691c8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:2](#[N:3])[c:4]1[c:5](-[c:10]2[n:11][c:12]([NH:25][CH2:26][CH2:27][c:28]3[cH:29][c:30]([F:34])[cH:31][cH:32][cH:33]3)[c:13]([C:14](=[O:15])[NH:16][CH2:17][CH:18]3[NH:19][CH2:20][CH2:21][CH2:22]3)[cH:23][cH:24]2)[cH:6][cH:7][cH:8][cH:9]1.[C:35]([CH3:36])([CH3:37])([CH3:38])[O:39][C:40](=[O:41])[NH:42][CH2:43][CH2:44][CH2:45][C:46](=[O:47])[OH:48].[CH:83]([N:84]([CH2:85][CH3:86])[CH:87]([CH3:88])[CH3:89])([CH3:90])[CH3:91].[ClH:1].[O:92]=[CH:93][N:94]([CH3:95])[CH3:96].[OH:49][n:50]1[c:51]2[c:52]([cH:53][cH:54][cH:55][cH:56]2)[n:57][n:58]1.[P-:59]([F:60])([F:61])([F:62])([F:63])([F:64])[F:65].[n:66]1([O:67][C:68]([N:69]([CH3:70])[CH3:71])=[N+:72]([CH3:73])[CH3:74])[c:75]2[cH:76][cH:77][cH:78][cH:79][c:80]2[n:81][n:82]1>>[C:2](#[N:3])[c:4]1[c:5](-[c:10]2[n:11][c:12]([NH:25][CH2:26][CH2:27][c:28]3[cH:29][c:30]([F:34])[cH:31][cH:32][cH:33]3)[c:13]([C:14](=[O:15])[NH:16][CH2:17][CH:18]3[N:19]([C:46]([CH2:45][CH2:44][CH2:43][NH:42][C:40]([O:39][C:35]([CH3:36])([CH3:37])[CH3:38])=[O:41])=[O:47])[CH2:20][CH2:21][CH2:22]3)[cH:23][cH:24]2)[cH:6][cH:7][cH:8][cH:9]1