HRID690935

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8028

Tetrahydrofuran

C4H8O

HCID14917

Hydrogen fluoride

HCID123472

Diethylaminosulfur trifluoride

C4H10F3NS

结构：CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(O)C(OC)C3)C(C)CCC1=O)C(C)CC2OC

HCID57262833

未命名化合物

PRODUCTS

生成物

结构：CCC1C=C(C)CC(C)CC(OC)C2OC(O)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C)=CC3CCC(F)C(OC)C3)C(C)CCC1=O)C(C)CC2OC

HCID57161264

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e649b8b1f884af9a524f80ffd19bdc6
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

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