HRID2316563

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6101

4-Methylbenzenesulfonic acid

C7H8O3S

HCID6586

Methyl chlorocarbonate

C2H3ClO2

HCID7914

Isopropyl ether

C6H14O

HCID8028

Tetrahydrofuran

C4H8O

HCID8058

n-Hexane

C6H14

HCID8471

Triethylamine

C6H15N

HCID19365132

未命名化合物

PRODUCTS

生成物

结构：COC(=O)NC(Cc1ccccc1)C1CC(Cc2ccccc2)=NO1

HCID19365142

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2547ab29b83b4c709f740027a536b610
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

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