HRID1570254

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID8857

Ethyl acetate

C4H8O2

HCID81531

Diisopropylethylamine

C8H19N

HCID2735446

2,1,3-benzoxadiazole-4-sulfonyl chloride

C6H3ClN2O3S

HCID54268705

未命名化合物

PRODUCTS

生成物

结构：CCCCc1ccc(CN(Cc2cccc(CC(=O)OC)c2)S(=O)(=O)c2cccc3nonc23)cc1

HCID69544491

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ef37eb262bf4c83baaadbf23f34f99e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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