HRID2160760

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID6371

Phosgene

CCl2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID12258646

3-AMINO-4H-CHROMEN-4-ONE

C9H7NO2

HCID12890322

未命名化合物

PRODUCTS

生成物

结构：CN1C(C(=O)Nc2coc3ccccc3c2=O)=C(N2CCCC2)c2ccccc2S1(=O)=O

HCID20542222

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-90c7f961e09048a2a46c32fb3b6a3d85
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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