HRID2346718

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6422

未命名化合物

HCID6578

Propanamide

C3H7NO

HCID12052

Silane, triethyl-

C6H16Si

结构：Cc1cc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)sc1C=O

HCID86681290

未命名化合物

PRODUCTS

生成物

结构：CCC(=O)NCc1sc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)cc1C

HCID54766756

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-06745f9e51074e56b04e6d92aa749793
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

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