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Potassium Cation → 8-[2,6-dichloro-3-[N-methyl-N-[4-(methylcarbamoyl)cinnamoylglycyl]amino]benzyloxy]-4-(imidazol-1-yl)-2-methylquinoline

HRID 203605
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HRID 203605 반응식
[C:48](=[O:49])([O-:50])[O-:51].[CH3:55][N:56]([CH3:57])[CH:58]=[O:59].[Cl:18][c:19]1[c:20]([CH2:21][Br:22])[c:23]([Cl:47])[cH:24][cH:25][c:26]1[N:27]([C:28]([CH2:29][NH:30][C:31]([CH:32]=[CH:33][c:34]1[cH:35][cH:36][c:37]([C:40]([NH:41][CH3:42])=[O:43])[cH:38][cH:39]1)=[O:44])=[O:45])[CH3:46].[K+:52].[K+:53].[OH2:54].[OH:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7](-[n:13]3[cH:14][n:15][cH:16][cH:17]3)[cH:8][c:9]([CH3:12])[n:10][c:11]12>>[O:1]([c:2]1[cH:3][cH:4][cH:5][c:6]2[c:7](-[n:13]3[cH:14][n:15][cH:16][cH:17]3)[cH:8][c:9]([CH3:12])[n:10][c:11]12)[CH2:21][c:20]1[c:19]([Cl:18])[c:26]([N:27]([C:28]([CH2:29][NH:30][C:31]([CH:32]=[CH:33][c:34]2[cH:35][cH:36][c:37]([C:40]([NH:41][CH3:42])=[O:43])[cH:38][cH:39]2)=[O:44])=[O:45])[CH3:46])[cH:25][cH:24][c:23]1[Cl:47]
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반응물 6

HCID 813Potassium Cation2회HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 184042368-Hydroxy-4-(1H-imidazol-yl)-2-methylquinolineHCID 538052362,6-dichloro-3-[N-[4-(methylcarbamoyl)cinnamoylglycyl]-N-methylamino]benzyl bromide

생성물 1

HCID 54467458
8-[2,6-dichloro-3-[N-methyl-N-[4-(methylcarbamoyl)cinnamoylglycyl]amino]benzyloxy]-4-(imidazol-1-yl)-2-methylquinoline

출처 및 근거

ORD 기록
ord-221bf636d85d4e5c89ad29ecfaf82083
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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