Sodium Ion → 3-Cyano-2-[3-(2-methoxy-phenyl)-propanoylamino]-4,7-dihydro-5H-thieno[2,3-c]pyridine-6-carboxylic acid 2-hydroxy-ethyl ester

반응식

[C:1](=[O:2])([CH3:3])[O:4][CH2:5][CH2:6][O:7][C:8](=[O:9])[N:10]1[CH2:11][c:12]2[c:13]([c:16]([C:32]#[N:33])[c:17]([NH:19][C:20]([CH2:21][CH2:22][c:23]3[c:24]([O:29][CH3:30])[cH:25][cH:26][cH:27][cH:28]3)=[O:31])[s:18]2)[CH2:14][CH2:15]1.[Na+:35].[OH-:34]>>[OH:4][CH2:5][CH2:6][O:7][C:8](=[O:9])[N:10]1[CH2:11][c:12]2[c:13]([c:16]([C:32]#[N:33])[c:17]([NH:19][C:20]([CH2:21][CH2:22][c:23]3[c:24]([O:29][CH3:30])[cH:25][cH:26][cH:27][cH:28]3)=[O:31])[s:18]2)[CH2:14][CH2:15]1

참가 물질

반응물 3

HCID 923Sodium Ion

HCID 961Hydroxide

HCID 118574343-Cyano-2-[3-(2-methoxy-phenyl)-propionylamino]-4,7-dihydro-5H-thieno[2,3-c]pyridine-6-carboxylic acid 2-acetoxy-ethyl ester

생성물 1

HCID 118574373-Cyano-2-[3-(2-methoxy-phenyl)-propanoylamino]-4,7-dihydro-5H-thieno[2,3-c]pyridine-6-carboxylic acid 2-hydroxy-ethyl ester

출처 및 근거

ORD 기록: ord-b351cf2acd95437c9fba5799eaebfc73
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D

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