HRID697621

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID985

Hexadecanoic acid

C16H32O2

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

结构：COc1ccc(COC(c2ccccc2)(c2ccc(OC)cc2)C2CC(O)CN2C(=O)CCCCCN)cc1

HCID68638381

未命名化合物

PRODUCTS

生成物

结构：CCCCCCCCCCCCCCCC(=O)NCCCCCC(=O)N1CC(O)CC1C(OCc1ccc(OC)cc1)(c1ccccc1)c1ccc(OC)cc1

HCID178443075

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-271492a4497948d09292e1d96b0d8004
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][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][C:16]([OH:17])=[O:18].[CH:82]([N:83]([CH2:84][CH3:85])[CH:86]([CH3:87])[CH3:88])([CH3:89])[CH3:90].[NH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][C:25](=[O:26])[N:27]1[CH:28]([C:33]([O:34][CH2:35][c:36]2[cH:37][cH:38][c:39]([O:42][CH3:43])[cH:40][cH:41]2)([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][c:53]([O:56][CH3:57])[cH:54][cH:55]2)[CH2:29][CH:30]([OH:32])[CH2:31]1.[P-:58]([F:59])([F:60])([F:61])([F:62])([F:63])[F:64].[n:65]1([O:66][C:67]([N:68]([CH3:69])[CH3:70])=[N+:71]([CH3:72])[CH3:73])[c:74]2[cH:75][cH:76][cH:77][cH:78][c:79]2[n:80][n:81]1>>[CH3:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][C:16](=[O:18])[NH:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][C:25](=[O:26])[N:27]1[CH:28]([C:33]([O:34][CH2:35][c:36]2[cH:37][cH:38][c:39]([O:42][CH3:43])[cH:40][cH:41]2)([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][c:53]([O:56][CH3:57])[cH:54][cH:55]2)[CH2:29][CH:30]([OH:32])[CH2:31]1