HRID1227370

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8471

Triethylamine

C6H15N

HCID65578

Ethanedioyl dichloride

C2Cl2O2

HCID10515641

2,4,6-TRIISOPROPYLPHENYLACETIC ACID

C17H26O2

结构：CC(C)c1cc(SC#N)cc(C(C)C)c1OS(N)(=O)=O

HCID54144007

未命名化合物

PRODUCTS

生成物

结构：CC(C)c1cc(C(C)C)c(CC(=O)NS(=O)(=O)Oc2c(C(C)C)cc(SC#N)cc2C(C)C)c(C(C)C)c1

HCID10144265

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-39a283c1045b41a7932546c03e9c9c52
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[CH3:46][CH2:47][N:48]([CH2:49][CH3:50])[CH2:51][CH3:52].[CH3:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1.[CH3:60][N:61]([CH3:62])[CH:63]=[O:64].[CH:26]([CH3:27])([CH3:28])[c:29]1[c:30]([O:41][S:42]([NH2:43])(=[O:44])=[O:45])[c:31]([CH:38]([CH3:39])[CH3:40])[cH:32][c:33]([S:35][C:36]#[N:37])[cH:34]1.[CH:7]([CH3:8])([CH3:9])[c:10]1[c:11]([CH2:22][C:23](=[O:24])[OH:25])[c:12]([CH:19]([CH3:20])[CH3:21])[cH:13][c:14]([CH:16]([CH3:17])[CH3:18])[cH:15]1.[Cl:1][C:2]([C:3]([Cl:4])=[O:5])=[O:6]>>[CH:7]([CH3:8])([CH3:9])[c:10]1[c:11]([CH2:22][C:23](=[O:24])[NH:43][S:42]([O:41][c:30]2[c:29]([CH:26]([CH3:27])[CH3:28])[cH:34][c:33]([S:35][C:36]#[N:37])[cH:32][c:31]2[CH:38]([CH3:39])[CH3:40])(=[O:44])=[O:45])[c:12]([CH:19]([CH3:20])[CH3:21])[cH:13][c:14]([CH:16]([CH3:17])[CH3:18])[cH:15]1