HRID314142

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID7912

Diisopropylamine

C6H15N

HCID8028

Tetrahydrofuran

C4H8O

HCID10512649

Ethyl [4-(methylsulfanyl)phenyl]acetate

C11H14O2S

HCID74390104

未命名化合物

HCID178418339

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C(c1ccc(SC)cc1)C(O)C1CCC(F)(F)CC1COCc1ccccc1

HCID67099268

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f03d34f8dd6f4fb7ada4234e906f8b3e
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

[CH2:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[O:34][CH2:35][CH:36]1[CH:37]([CH:44]=[O:45])[CH2:38][CH2:39][C:40]([F:42])([F:43])[CH2:41]1.[CH2:48]1[O:49][CH2:50][CH2:51][CH2:52]1.[CH3:13][S:14][c:15]1[cH:16][cH:17][c:18]([CH2:21][C:22](=[O:23])[O:24][CH2:25][CH3:26])[cH:19][cH:20]1.[CH3:1][CH2:2][CH2:3][CH2:4][Li:5].[CH:6]([NH:7][CH:8]([CH3:9])[CH3:10])([CH3:11])[CH3:12].[Cl-:46].[NH4+:47]>>[CH3:13][S:14][c:15]1[cH:16][cH:17][c:18]([CH:21]([C:22](=[O:23])[O:24][CH2:25][CH3:26])[CH:44]([CH:37]2[CH:36]([CH2:35][O:34][CH2:27][c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[CH2:41][C:40]([F:42])([F:43])[CH2:39][CH2:38]2)[OH:45])[cH:19][cH:20]1