HRID2338678

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：CCCCN(Cc1ccc(OCC(=O)OCC)c(C)c1)c1cccc(-c2ccc(C(F)(F)F)cc2)c1C

HCID58622849

未命名化合物

PRODUCTS

生成物

结构：CCCCN(Cc1ccc(OCC(=O)O)c(C)c1)c1cccc(-c2ccc(C(F)(F)F)cc2)c1C

HCID18448300

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-88565e9fc8c84ca8b2019e496cae6f0d
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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