HRID2312037

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

HCID8857

Ethyl acetate

C4H8O2

结构：COC(=O)C1CN(C(=O)OC(C)(C)C)CCC1CCC(=O)c1c(F)cnc2ccc(OC)cc12

HCID178498863

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1CNCCC1CCC(=O)c1c(F)cnc2ccc(OC)cc12

HCID178498785

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-462cdc34498442ef9aeb18e146a50da7
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

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