HRID149048

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8028

Tetrahydrofuran

C4H8O

结构：CCOC(=O)C(C)(C)Oc1ccc(CN(Cc2ccc(C(F)(F)F)cc2)c2cccc(-c3ccc(C(F)(F)F)cc3)n2)cc1C

HCID18448414

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(CN(Cc2ccc(C(F)(F)F)cc2)c2cccc(-c3ccc(C(F)(F)F)cc3)n2)ccc1OC(C)(C)C(=O)O

HCID9808846

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7f6a1d8fe1bc4f249279b092c0ed0a41
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][C:2]([C:3](=[O:4])[O:5][CH2:6][CH3:7])([CH3:8])[O:9][c:10]1[c:11]([CH3:45])[cH:12][c:13]([CH2:16][N:17]([c:18]2[n:19][c:20](-[c:24]3[cH:25][cH:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]3)[cH:21][cH:22][cH:23]2)[CH2:34][c:35]2[cH:36][cH:37][c:38]([C:41]([F:42])([F:43])[F:44])[cH:39][cH:40]2)[cH:14][cH:15]1.[CH3:53][OH:54].[Na+:47].[O:48]1[CH2:49][CH2:50][CH2:51][CH2:52]1.[OH-:46]>>[CH3:1][C:2]([C:3](=[O:4])[OH:5])([CH3:8])[O:9][c:10]1[c:11]([CH3:45])[cH:12][c:13]([CH2:16][N:17]([c:18]2[n:19][c:20](-[c:24]3[cH:25][cH:26][c:27]([C:30]([F:31])([F:32])[F:33])[cH:28][cH:29]3)[cH:21][cH:22][cH:23]2)[CH2:34][c:35]2[cH:36][cH:37][c:38]([C:41]([F:42])([F:43])[F:44])[cH:39][cH:40]2)[cH:14][cH:15]1