HRID2325767

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：CCCCCCC(Oc1ccc(C(=O)OC)cc1F)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1

HCID67342037

未命名化合物

PRODUCTS

生成物

结构：CCCCCCC(Oc1ccc(C(=O)O)cc1F)c1ccc(-c2ccc(C(F)(F)F)cc2)nc1

HCID67344002

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-47119b74920446d69be1ad5444c1e0fb
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

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