HRID1228765

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID1049

Pyridine

C5H5N

HCID11667

Ethanesulfonyl chloride

C2H5ClO2S

结构：CC(=O)C1=C(C)Nc2cc[nH]c(=O)c2C1c1cccc2c(=O)cc(C)oc12

HCID59603009

未命名化合物

PRODUCTS

生成物

结构：CCS(=O)(=O)Oc1nccc2c1C(c1cccc3c(=O)cc(C)oc13)C(C(C)=O)=C(C)N2

HCID24798421

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e1c77cb7b482442a9ec90268026758f7
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

[C:1]([CH3:2])(=[O:3])[C:4]1=[C:5]([CH3:27])[NH:6][c:7]2[cH:8][cH:9][nH:10][c:11](=[O:26])[c:12]2[CH:13]1[c:14]1[cH:15][cH:16][cH:17][c:18]2[c:19](=[O:25])[cH:20][c:21]([CH3:24])[o:22][c:23]12.[CH2:28]([CH3:29])[S:30](=[O:31])(=[O:32])[Cl:33].[CH3:34][OH:35].[cH:36]1[cH:37][cH:38][n:39][cH:40][cH:41]1>>[C:1]([CH3:2])(=[O:3])[C:4]1=[C:5]([CH3:27])[NH:6][c:7]2[cH:8][cH:9][n:10][c:11]([O:26][S:30]([CH2:28][CH3:29])(=[O:31])=[O:32])[c:12]2[CH:13]1[c:14]1[cH:15][cH:16][cH:17][c:18]2[c:19](=[O:25])[cH:20][c:21]([CH3:24])[o:22][c:23]12