HRID1205565

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID26255

Tetrafluoroborate

BF4-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID503252

4-Amino-1-(tert-butoxycarbonyl)pyrrolidine-3-carboxylic acid

C10H18N2O4

结构：CC(C)(C)OC(=O)NCCCCCCOc1ccc(CNc2nc(Nc3ccc(C(=O)O)cc3)nc(OCC(F)(F)F)n2)cc1

HCID67074240

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NCCCCCCOc1ccc(CNc2nc(Nc3ccc(C(=O)NC4CN(C(=O)OC(C)(C)C)CC4C(=O)O)cc3)nc(OCC(F)(F)F)n2)cc1

HCID67073839

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8e70cb8422c7439c9895c6381be2ee5c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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