HRID87826

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6344

Dichloromethane

CH2Cl2

HCID8082

Piperidine

C5H11N

HCID9886

Hexafluorophosphate ion

F6P-

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)N2CCCCC2)cc2cn[nH]c12

HCID68462497

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-98e45f97eb5649e4a609cff9f20027c1
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

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