HRID184748

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID88728

4-Amino-2-chlorobenzonitrile

C7H5ClN2

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)Nc3ccc(C#N)c(Cl)c3)cc2)OC1)C(O)(Cn1cncn1)c1ccc(F)cc1F

HCID18766348

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cc1c0f88a4014efb92ec55a83d9b3c1d
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

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