HRID2143335

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：CCOC(=O)C(C)(Cc1ccc(OCCC2CN(Cc3ccc(C(F)(F)F)cc3)C(=O)N2C)cc1)Oc1ccccc1F

HCID68867418

未命名化合物

PRODUCTS

生成物

结构：CN1C(=O)N(Cc2ccc(C(F)(F)F)cc2)CC1CCOc1ccc(CC(C)(Oc2ccccc2F)C(=O)O)cc1

HCID10129032

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-117209c743f443ed9efb1baeea5ba1f1
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]([CH3:2])[O:3][C:4]([C:5]([CH2:6][c:7]1[cH:8][cH:9][c:10]([O:13][CH2:14][CH2:15][CH:16]2[N:17]([CH3:33])[C:18](=[O:32])[N:19]([CH2:21][c:22]3[cH:23][cH:24][c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]3)[CH2:20]2)[cH:11][cH:12]1)([CH3:34])[O:35][c:36]1[c:37]([F:42])[cH:38][cH:39][cH:40][cH:41]1)=[O:43].[CH3:46][CH2:47][OH:48].[Na+:45].[OH-:44]>>[O:3]=[C:4]([C:5]([CH2:6][c:7]1[cH:8][cH:9][c:10]([O:13][CH2:14][CH2:15][CH:16]2[N:17]([CH3:33])[C:18](=[O:32])[N:19]([CH2:21][c:22]3[cH:23][cH:24][c:25]([C:28]([F:29])([F:30])[F:31])[cH:26][cH:27]3)[CH2:20]2)[cH:11][cH:12]1)([CH3:34])[O:35][c:36]1[c:37]([F:42])[cH:38][cH:39][cH:40][cH:41]1)[OH:43]