HRID674784

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID187201

N-Boc-ethylenediamine

C7H16N2O2

结构：c1ccc2c(c1)nnn2O[P+](N1CCCC1)(N1CCCC1)N1CCCC1

HCID2724700

未命名化合物

结构：CCc1cc(-c2noc(-c3cc(C)nc(N(C)C(C)C)c3)n2)cc(C)c1CCC(=O)O

HCID68578076

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(-c2noc(-c3cc(C)nc(N(C)C(C)C)c3)n2)cc(C)c1CCC(=O)NCCNC(=O)OC(C)(C)C

HCID68578269

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b88e999c5597456199b6d11f4a8f5f5c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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