HRID108976

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-

HCID75260

4-(4-Fluorophenyl)piperazine

C10H13FN2

HCID81531

Diisopropylethylamine

C8H19N

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(c3ccc(F)cc3)CC2)cc2cn[nH]c12

HCID68461642

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b391fb5b536449a3ae7c571574224eec
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

[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.[CH3:91][N:92]([CH3:93])[CH:94]=[O:95].[CH:36]([N:37]([CH:38]([CH3:39])[CH3:40])[CH2:41][CH3:42])([CH3:43])[CH3:44].[Cl:96][CH2:97][Cl:98].[F:45][c:46]1[cH:47][cH:48][c:49]([N:52]2[CH2:53][CH2:54][NH:55][CH2:56][CH2:57]2)[cH:50][cH:51]1.[P-:58]([F:59])([F:60])([F:61])([F:62])([F:63])[F:64].[n:65]1([O:66][P+:67]([N:68]2[CH2:69][CH2:70][CH2:71][CH2:72]2)([N:73]2[CH2:74][CH2:75][CH2:76][CH2:77]2)[N:78]2[CH2:79][CH2:80][CH2:81][CH2:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][c:88]2[n:89][n:90]1>>[CH3:1][c:2]1[cH:3][c:4]([CH2:11][CH:12]([C:13](=[O:14])[N:55]2[CH2:54][CH2:53][N:52]([c:49]3[cH:48][cH:47][c:46]([F:45])[cH:51][cH:50]3)[CH2:57][CH2:56]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