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Methanol → 7-[4-(2-butoxyethoxy)phenyl]-1-(N,N-dimethyl-4-sulfamoylphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxylic acid

HRID 212293
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HRID 212293 반응식
[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:41]2)[CH:20]=[C:21]([C:37](=[O:38])[O:39][CH3:40])[CH2:22][CH2:23][N:24]3[c:25]2[cH:26][cH:27][c:28]([S:31]([N:32]([CH3:33])[CH3:34])(=[O:35])=[O:36])[cH:29][cH:30]2)[cH:13][cH:14]1.[CH2:46]1[O:47][CH2:48][CH2:49][CH2:50]1.[CH3:44][OH:45].[Na+:43].[OH-:42]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][CH2:6][CH2:7][O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[cH:16][cH:17][c:18]3[c:19]([cH:41]2)[CH:20]=[C:21]([C:37](=[O:38])[OH:39])[CH2:22][CH2:23][N:24]3[c:25]2[cH:26][cH:27][c:28]([S:31]([N:32]([CH3:33])[CH3:34])(=[O:35])=[O:36])[cH:29][cH:30]2)[cH:13][cH:14]1
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반응물 5

HCID 887MethanolHCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 22328993methyl 7-[4-(2-butoxyethoxy)phenyl]-1-(N,N-dimethyl-4-sulfamoylphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxylate

생성물 1

HCID 22329259
7-[4-(2-butoxyethoxy)phenyl]-1-(N,N-dimethyl-4-sulfamoylphenyl)-2,3-dihydro-1H-1-benzazepine-4-carboxylic acid

출처 및 근거

ORD 기록
ord-e751766e888b4c658dd519ab6366825b
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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