HRID106277

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID2736319

3,5-dimethylisoxazole-4-sulfonyl chloride

C5H6ClNO3S

结构：CC(C)(C)OC(=O)COc1cccc(CNCc2ccc(-c3ncccn3)cc2)c1

HCID18376223

未命名化合物

PRODUCTS

生成物

结构：Cc1noc(C)c1S(=O)(=O)N(Cc1ccc(-c2ncccn2)cc1)Cc1cccc(OCC(=O)OC(C)(C)C)c1

HCID53857383

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1dda4c7ab5bc453487cff0ca9e8e5111
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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