HRID287485

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

结构：CCOC(=O)C(CCCCCCCCC1c2ccc(O)cc2SCC1(C)c1ccc(O)cc1)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F

HCID18546293

未命名化合物

PRODUCTS

生成物

结构：CC1(c2ccc(O)cc2)CSc2cc(O)ccc2C1CCCCCCCCC(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)O

HCID9896316

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5ea03fa94d1c46c183ddd4a2aee925b4
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

[CH2:53]([OH:54])[CH3:55].[ClH:51].[Na+:50].[OH-:49].[OH2:52].[OH:1][c:2]1[cH:3][cH:4][c:5]2[c:10]([cH:11]1)[S:9][CH2:8][C:7]([CH3:12])([c:13]1[cH:14][cH:15][c:16]([OH:19])[cH:17][cH:18]1)[CH:6]2[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH:28]([C:29](=[O:30])[O:31][CH2:32][CH3:33])[CH2:34][CH2:35][C:36]([C:37]([C:38]([C:39]([F:40])([F:41])[F:42])([F:43])[F:44])([F:45])[F:46])([F:47])[F:48]>>[OH:1][c:2]1[cH:3][cH:4][c:5]2[c:10]([cH:11]1)[S:9][CH2:8][C:7]([CH3:12])([c:13]1[cH:14][cH:15][c:16]([OH:19])[cH:17][cH:18]1)[CH:6]2[CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH:28]([C:29](=[O:30])[OH:31])[CH2:34][CH2:35][C:36]([C:37]([C:38]([C:39]([F:40])([F:41])[F:42])([F:43])[F:44])([F:45])[F:46])([F:47])[F:48]