HRID825356

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID1390

1-Methylimidazole

C4H6N2

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

结构：CC(C)c1cc(C(C)C)c(S(=O)(=O)Cl)c(C(C)C)c1

HCID81042

2,4,6-Triisopropylbenzenesulfonyl chloride

C15H23ClO2S

HCID93002

Oxolan-2-ol

C4H8O2

HCID184185

2-[(4,6-Dimethoxy-2-pyrimidinyl)oxy]benzoic acid

C13H12N2O5

PRODUCTS

生成物

结构：COc1cc(OC)nc(Oc2ccccc2C(=O)OCC2CCCO2)n1

HCID15278238

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c1fe056100f4fc9b456d4990f20702d
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:1][O:2][c:3]1[n:4][c:5]([O:11][c:12]2[c:13]([C:14](=[O:15])[OH:16])[cH:17][cH:18][cH:19][cH:20]2)[n:6][c:7]([O:9][CH3:10])[cH:8]1.[CH3:46][n:47]1[cH:48][cH:49][n:50][cH:51]1.[CH3:58][CH2:59][O:60][C:61](=[O:62])[CH3:63].[CH:27]([c:28]1[cH:29][c:30]([CH:31]([CH3:32])[CH3:33])[cH:34][c:35]([CH:36]([CH3:37])[CH3:38])[c:39]1[S:40]([Cl:41])(=[O:42])=[O:43])([CH3:44])[CH3:45].[ClH:52].[O:21]1[CH:22]([OH:26])[CH2:23][CH2:24][CH2:25]1.[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1>>[CH3:1][O:2][c:3]1[n:4][c:5]([O:11][c:12]2[c:13]([C:14](=[O:15])[O:16][CH2:27][CH:22]3[O:21][CH2:25][CH2:24][CH2:23]3)[cH:17][cH:18][cH:19][cH:20]2)[n:6][c:7]([O:9][CH3:10])[cH:8]1