Sodium Ion → 1-(3-methoxypropyl)-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylic acid

반응식

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

참가 물질

반응물 3

HCID 923Sodium Ion

HCID 961Hydroxide

HCID 22329044methyl 1-(3-methoxypropyl)-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylate

생성물 1

HCID 223289531-(3-methoxypropyl)-7-[4-(2-propoxyethoxy)phenyl]-2,3-dihydro-1H-1-benzazepine-4-carboxylic acid

출처 및 근거

ORD 기록: ord-5a451e178b28495e917062dc8dddf2e9
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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