HRID1240504

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1032

未命名化合物

结构：O=C(OC(=O)c1ccccc1S(=O)(=O)O)c1ccccc1S(=O)(=O)O

HCID13795534

未命名化合物

结构：CN1CCC(C2(O)c3ccc(F)cc3Sc3ccc(F)cc32)CC1

HCID20357479

2,6-Difluoro-9-(1-methylpiperidin-4-yl)-9H-thioxanthen-9-ol

C19H19F2NOS

PRODUCTS

生成物

结构：CN1CCC(=C2c3ccc(F)cc3Sc3ccc(F)cc32)CC1

HCID20357530

4-(2,6-Difluoro-9H-thioxanthen-9-ylidene)-1-methylpiperidine

C19H17F2NS

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e16622a1d382463eb9bd6ae2abbfb172
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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