HRID153075

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

HCID28486

Lithium ion

Li+

HCID12440708

1,2,3,6-Tetrahydro-4-[4-(trifluoromethyl)phenyl]pyridine

C12H12F3N

结构：COC(=O)C1Cc2cccc(S(=O)(=O)N3C4CCCC3CN(c3ccc(OC(F)(F)F)cc3)C4)c2C1

HCID67045784

未命名化合物

PRODUCTS

生成物

结构：O=C(O)C1Cc2cccc(S(=O)(=O)N3C4CCCC3CN(c3ccc(OC(F)(F)F)cc3)C4)c2C1

HCID57635965

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-74d4bcc7546f4fc18a1937b4b5e15bdd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[CH3:1][O:2][C:3](=[O:4])[CH:5]1[CH2:6][c:7]2[cH:8][cH:9][cH:10][c:11]([S:14](=[O:15])(=[O:16])[N:17]3[CH:18]4[CH2:19][N:20]([c:26]5[cH:27][cH:28][c:29]([O:32][C:33]([F:34])([F:35])[F:36])[cH:30][cH:31]5)[CH2:21][CH:22]3[CH2:23][CH2:24][CH2:25]4)[c:12]2[CH2:13]1.[CH3:60][OH:61].[F:44][C:45]([F:46])([F:47])[c:48]1[cH:49][cH:50][c:51]([C:52]2=[CH:57][CH2:56][NH:55][CH2:54][CH2:53]2)[cH:58][cH:59]1.[Li+:38].[O:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[OH-:37]>>[O:2]=[C:3]([OH:4])[CH:5]1[CH2:6][c:7]2[cH:8][cH:9][cH:10][c:11]([S:14](=[O:15])(=[O:16])[N:17]3[CH:18]4[CH2:19][N:20]([c:26]5[cH:27][cH:28][c:29]([O:32][C:33]([F:34])([F:35])[F:36])[cH:30][cH:31]5)[CH2:21][CH:22]3[CH2:23][CH2:24][CH2:25]4)[c:12]2[CH2:13]1