HRID701116

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID87298

1-Cyclohexylpiperazine

C10H20N2

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

HCID2724700

未命名化合物

结构：Cc1cc(CC(OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C(=O)O)cc2cn[nH]c12

HCID68463239

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(CC(OC(=O)N2CCC(c3cc4ccccc4[nH]c3=O)CC2)C(=O)N2CCN(C3CCCCC3)CC2)cc2cn[nH]c12

HCID59424291

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-654f9f433f844fe6a1d2ee195d48496f
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

[CH3:1][c:2]1[cH:3][c:4]([CH2:11][CH:12]([C:13](=[O:14])[OH:15])[O:16][C:17](=[O:18])[N:19]2[CH2:20][CH2:21][CH:22]([c:25]3[c:26](=[O:35])[nH:27][c:28]4[cH:29][cH:30][cH:31][cH:32][c:33]4[cH:34]3)[CH2:23][CH2:24]2)[cH:5][c:6]2[cH:7][n:8][nH:9][c:10]12.[CH3:90][N:91]([CH3:92])[CH:93]=[O:94].[CH:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH2:41][CH3:42])([CH3:43])[CH3:44].[CH:45]1([N:51]2[CH2:52][CH2:53][NH:54][CH2:55][CH2:56]2)[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]1.[Cl:95][CH2:96][Cl:97].[P-:57]([F:58])([F:59])([F:60])([F:61])([F:62])[F:63].[n:64]1([O:65][P+:66]([N:67]2[CH2:68][CH2:69][CH2:70][CH2:71]2)([N:72]2[CH2:73][CH2:74][CH2:75][CH2:76]2)[N:77]2[CH2:78][CH2:79][CH2:80][CH2:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][c:87]2[n:88][n:89]1>>[CH3:1][c:2]1[cH:3][c:4]([CH2:11][CH:12]([C:13](=[O:14])[N:54]2[CH2:53][CH2:52][N:51]([CH:45]3[CH2:46][CH2:47][CH2:48][CH2:49][CH2:50]3)[CH2:56][CH2:55]2)[O:16][C:17](=[O:18])[N:19]2[CH2:20][CH2:21][CH:22]([c:25]3[c:26](=[O:35])[nH:27][c:28]4[cH:29][cH:30][cH:31][cH:32][c:33]4[cH:34]3)[CH2:23][CH2:24]2)[cH:5][c:6]2[cH:7][n:8][nH:9][c:10]12