HRID2325333

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6367

Acetyl chloride

C2H3ClO

HCID81531

Diisopropylethylamine

C8H19N

结构：O=S(=O)(Oc1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1)C(F)(F)F

HCID86607164

未命名化合物

PRODUCTS

生成物

结构：CC(=O)Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(OS(=O)(=O)C(F)(F)F)ccc2c1

HCID58338544

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-923491f045234475bc29f21e9432f45e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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