HRID2145454

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)c1ncnc(-c2ccc(C(F)(F)F)cc2)c1C

HCID58622901

未命名化合物

PRODUCTS

生成物

结构：CCCCN(Cc1ccc(OCC(=O)O)c(C)c1)c1ncnc(-c2ccc(C(F)(F)F)cc2)c1C

HCID18448388

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d0c8c00d800746f0afcdcb6f3ff989e0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:1]([CH2:2][CH2:3][CH3:4])[N:5]([c:6]1[n:7][cH:8][n:9][c:10](-[c:13]2[cH:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]2)[c:11]1[CH3:12])[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.[CH3:40][OH:41].[Na+:39].[O:42]1[CH2:43][CH2:44][CH2:45][CH2:46]1.[OH-:38]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[N:5]([c:6]1[n:7][cH:8][n:9][c:10](-[c:13]2[cH:14][cH:15][c:16]([C:19]([F:20])([F:21])[F:22])[cH:17][cH:18]2)[c:11]1[CH3:12])[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