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Bicarbonate Ion → N-[3-[6-Ethoxy-3,4,8,9-tetrahydro-3,3,8,8-tetramethyl-5-[(1-piperidinyl)methyl]furo[2,3-h]isoquinolin-1-yl]phenyl]-N-(methylsulfonyl)methanesulfonamide

HRID 215162
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HRID 215162 반응식
[C:51](=[O:52])([O-:53])[OH:54].[CH2:6]([CH3:7])[O:8][c:9]1[c:10]([CH2:37][N:38]2[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]2)[c:11]2[c:16]([c:17]3[c:18]1[O:19][C:20]([CH3:22])([CH3:23])[CH2:21]3)[C:15]([c:24]1[cH:25][c:26]([NH:30][S:31](=[O:32])(=[O:33])[CH3:34])[cH:27][cH:28][cH:29]1)=[N:14][C:13]([CH3:35])([CH3:36])[CH2:12]2.[CH3:1][S:2]([Cl:3])(=[O:4])=[O:5].[CH3:44][CH2:45][N:46]([CH2:47][CH3:48])[CH2:49][CH3:50].[Na+:55].[O:56]1[CH2:57][CH2:58][CH2:59][CH2:60]1>>[CH3:1][S:2](=[O:4])(=[O:5])[N:30]([c:26]1[cH:25][c:24]([C:15]2=[N:14][C:13]([CH3:35])([CH3:36])[CH2:12][c:11]3[c:10]([CH2:37][N:38]4[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]4)[c:9]([O:8][CH2:6][CH3:7])[c:18]4[c:17]([c:16]32)[CH2:21][C:20]([CH3:22])([CH3:23])[O:19]4)[cH:29][cH:28][cH:27]1)[S:31](=[O:32])(=[O:33])[CH3:34]
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참가 물질

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HCID 769Bicarbonate IonHCID 923Sodium IonHCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 31297Methanesulfonyl chlorideHCID 22343694N-[3-[6-Ethoxy-3,4,8,9-tetrahydro-3,3,8,8-tetramethyl-5-[(1-piperidinyl)methyl]furo[2,3-h]isoquinolin-1-yl]phenyl]methanesulfonamide

생성물 1

HCID 22344045
N-[3-[6-Ethoxy-3,4,8,9-tetrahydro-3,3,8,8-tetramethyl-5-[(1-piperidinyl)methyl]furo[2,3-h]isoquinolin-1-yl]phenyl]-N-(methylsulfonyl)methanesulfonamide

출처 및 근거

ORD 기록
ord-187c00d578104becba84736168ec5699
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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