HRID1136447

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

HCID58622867

未命名化合物

PRODUCTS

生成物

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

HCID18448345

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e82fcf944292495386344e52ae8c026c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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