HRID181092

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID87322

4-Aminotetrafluorobenzonitrile

C7H2F4N2

HCID16682925

Aluminum, trimethyl-

C3H9Al

结构：COC(=O)c1ccc(C2OCC(SC(C)C(O)(Cn3cncn3)c3ccc(F)cc3F)CO2)cc1

HCID178497608

未命名化合物

PRODUCTS

生成物

结构：CC(SC1COC(c2ccc(C(=O)Nc3c(F)c(F)c(C#N)c(F)c3F)cc2)OC1)C(O)(Cn1cncn1)c1ccc(F)cc1F

HCID18766390

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-40ff9d3ced734583a62ba6ea28abcd8f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:14][Al:15]([CH3:16])[CH3:17].[F:18][c:19]1[c:20]([C:26]([CH:27]([CH3:28])[S:29][CH:30]2[CH2:31][O:32][CH:33]([c:36]3[cH:37][cH:38][c:39]([C:40](=[O:41])[O:42][CH3:43])[cH:44][cH:45]3)[O:34][CH2:35]2)([CH2:46][n:47]2[n:48][cH:49][n:50][cH:51]2)[OH:52])[cH:21][cH:22][c:23]([F:25])[cH:24]1.[NH2:1][c:2]1[c:3]([F:13])[c:4]([F:12])[c:5]([C:6]#[N:7])[c:8]([F:11])[c:9]1[F:10]>>[NH:1]([c:2]1[c:3]([F:13])[c:4]([F:12])[c:5]([C:6]#[N:7])[c:8]([F:11])[c:9]1[F:10])[C:40]([c:39]1[cH:38][cH:37][c:36]([CH:33]2[O:32][CH2:31][CH:30]([S:29][CH:27]([C:26]([c:20]3[c:19]([F:18])[cH:24][c:23]([F:25])[cH:22][cH:21]3)([CH2:46][n:47]3[n:48][cH:49][n:50][cH:51]3)[OH:52])[CH3:28])[CH2:35][O:34]2)[cH:45][cH:44]1)=[O:41]