HRID301312

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID180

Acetone

C3H6O

HCID3283

Diethyl Ether

C4H10O

HCID8058

n-Hexane

C6H14

结构：O=C(OCc1ccccc1)C1(N(CCCO)S(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)CCCC1

HCID15524280

未命名化合物

PRODUCTS

生成物

结构：O=C(O)CCN(C1(C(=O)OCc2ccccc2)CCCC1)S(=O)(=O)c1ccc(Oc2ccc(F)cc2)cc1

HCID15524281

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-610c267a7dc5487981803d0846e0d06e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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