HRID2128522

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID9886

Hexafluorophosphate ion

F6P-

HCID81531

Diisopropylethylamine

C8H19N

HCID433623

未命名化合物

HCID10938827

未命名化合物

HCID21710157

未命名化合物

PRODUCTS

生成物

结构：CCC(C)C(NC(=O)OC(C)(C)C)C(=O)NCCc1ccc(OCc2cccc3ccccc23)c(OC)c1

HCID178446781

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2515bb0344084df386cf3b8e2a322cdd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:11])[OH:12])[CH:13]([CH2:14][CH3:15])[CH3:16].[CH3:17][O:18][c:19]1[cH:20][c:21]([CH2:37][CH2:38][NH2:39])[cH:22][cH:23][c:24]1[O:25][CH2:26][c:27]1[cH:28][cH:29][cH:30][c:31]2[cH:32][cH:33][cH:34][cH:35][c:36]12.[CH3:75][N:76]([CH3:77])[CH:78]=[O:79].[CH:66]([N:67]([CH:68]([CH3:69])[CH3:70])[CH2:71][CH3:72])([CH3:73])[CH3:74].[OH2:80].[P-:40]([F:41])([F:42])([F:43])([F:44])([F:45])[F:46].[n:47]1([P+:48]([N:49]([CH3:50])[CH3:51])([N:52]([CH3:53])[CH3:54])[N:55]([CH3:56])[CH3:57])[c:58]2[cH:59][cH:60][cH:61][cH:62][c:63]2[n:64][n:65]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][CH:9]([C:10](=[O:12])[NH:39][CH2:38][CH2:37][c:21]1[cH:20][c:19]([O:18][CH3:17])[c:24]([O:25][CH2:26][c:27]2[cH:28][cH:29][cH:30][c:31]3[cH:32][cH:33][cH:34][cH:35][c:36]23)[cH:23][cH:22]1)[CH:13]([CH2:14][CH3:15])[CH3:16]