HRID94802

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID3559319

N-Boc-2-Cyclohexyl-DL-glycine

C13H23NO4

HCID66889378

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(C(=O)N1CCCC1c1ccnc(-n2cnc3ccccc32)c1)C1CCCCC1

HCID77163657

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-203149aeceb84d69843c56541759971d
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:11])[OH:12])[CH:13]1[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]1.[CH:73]([N:74]([CH:75]([CH3:76])[CH3:77])[CH2:78][CH3:79])([CH3:80])[CH3:81].[NH:53]1[CH:54]([c:58]2[cH:59][c:60](-[n:64]3[cH:65][n:66][c:67]4[c:68]3[cH:69][cH:70][cH:71][cH:72]4)[n:61][cH:62][cH:63]2)[CH2:55][CH2:56][CH2:57]1.[O:82]=[CH:83][N:84]([CH3:85])[CH3:86].[OH2:87].[OH:19][n:20]1[c:21]2[c:22]([cH:23][cH:24][cH:25][cH:26]2)[n:27][n:28]1.[P-:29]([F:30])([F:31])([F:32])([F:33])([F:34])[F:35].[n:36]1([O:37][C:38]([N:39]([CH3:40])[CH3:41])=[N+:42]([CH3:43])[CH3:44])[c:45]2[cH:46][cH:47][cH:48][cH:49][c:50]2[n:51][n:52]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:12])[N:53]1[CH:54]([c:58]2[cH:59][c:60](-[n:64]3[cH:65][n:66][c:67]4[c:68]3[cH:69][cH:70][cH:71][cH:72]4)[n:61][cH:62][cH:63]2)[CH2:55][CH2:56][CH2:57]1)[CH:13]1[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]1