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Sodium Ion → 1-Isopropylsulfonyl-2-amino-6-(1-(benzyl)-2-(methyl)-5-(2,4-difluorophenyl)-imidazol-4-yl)-benzimidazole

HRID 164444
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HRID 164444 반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH3:22])[n:10][c:11]([Br:21])[c:12]1-[c:13]1[c:14]([F:20])[cH:15][c:16]([F:19])[cH:17][cH:18]1.[CH3:48][O:49][CH2:50][CH2:51][O:52][CH3:53].[CH:23]([CH3:24])([CH3:25])[S:26](=[O:27])(=[O:28])[n:29]1[c:30]([NH2:41])[n:31][c:32]2[c:33]1[cH:34][c:35]([B:38]([OH:39])[OH:40])[cH:36][cH:37]2.[Na+:42].[Na+:43].[O-:44][C:45](=[O:46])[O-:47].[OH2:54]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[n:8]1[c:9]([CH3:22])[n:10][c:11](-[c:35]2[cH:34][c:33]3[n:29]([S:26]([CH:23]([CH3:24])[CH3:25])(=[O:27])=[O:28])[c:30]([NH2:41])[n:31][c:32]3[cH:37][cH:36]2)[c:12]1-[c:13]1[c:14]([F:20])[cH:15][c:16]([F:19])[cH:17][cH:18]1
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반응물 6

HCID 923Sodium Ion2회HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 179816721-benzyl-2-methyl bromo-5-(2,4-difluorophenyl)-1H-imidazoleHCID 17981723HCID 17981723, 화합물

생성물 1

HCID 17981751
1-Isopropylsulfonyl-2-amino-6-(1-(benzyl)-2-(methyl)-5-(2,4-difluorophenyl)-imidazol-4-yl)-benzimidazole

출처 및 근거

ORD 기록
ord-19eb0eb87efc4329b1aa6af4e588f4a8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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