HRID2340075

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID9886

Hexafluorophosphate ion

F6P-

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID81531

Diisopropylethylamine

C8H19N

HCID130500

未命名化合物

HCID10330133

未命名化合物

结构：C=CC1CC1(NC(=O)C1CC(Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1)C(=O)OCC

HCID20765316

未命名化合物

PRODUCTS

生成物

结构：C=CC1CC1(NC(=O)C1CC(Oc2cc(-c3ccccc3)nc3cc(OC)ccc23)CN1C(=O)C(NC(=O)OC)C(C)(C)C)C(=O)OCC

HCID66670071

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d424d0690faf4bf7abc500ebe130ab2b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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