HRID99947

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID14917

Hydrogen fluoride

结构：CC(C)(C)[Si](C)(C)OC(CCC1C(=O)N(c2ccccc2)C1c1ccc(-c2cccc(O)c2)cc1O)c1ccc(F)cc1

HCID178455206

未命名化合物

PRODUCTS

生成物

结构：O=C1C(CCC(O)c2ccc(F)cc2)C(c2ccc(-c3cccc(O)c3)cc2O)N1c1ccccc1

HCID178516100

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e95ce487277a41cebb8be2ea73a76dce
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

[C:1]([Si:2]([CH3:3])([CH3:4])[O:6][CH:7]([CH2:8][CH2:9][CH:10]1[C:11](=[O:34])[N:12]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[CH:13]1[c:14]1[c:15]([OH:27])[cH:16][c:17](-[c:20]2[cH:21][c:22]([OH:26])[cH:23][cH:24][cH:25]2)[cH:18][cH:19]1)[c:35]1[cH:36][cH:37][c:38]([F:41])[cH:39][cH:40]1)([CH3:5])([CH3:42])[CH3:43].[CH3:45][C:46]#[N:47].[FH:44]>>[OH:6][CH:7]([CH2:8][CH2:9][CH:10]1[C:11](=[O:34])[N:12]([c:28]2[cH:29][cH:30][cH:31][cH:32][cH:33]2)[CH:13]1[c:14]1[c:15]([OH:27])[cH:16][c:17](-[c:20]2[cH:21][c:22]([OH:26])[cH:23][cH:24][cH:25]2)[cH:18][cH:19]1)[c:35]1[cH:36][cH:37][c:38]([F:41])[cH:39][cH:40]1