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Chloride → 6-[[1,2-Diphenyl-5-[[(4-methylphenyl)sulfonyl]amino]-1H-benzimidazol-6-yl]oxy]-hexanoic acid isopropyl ester

HRID 671041
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HRID 671041 반응식
[CH3:36][c:37]1[cH:38][cH:39][c:40]([S:43](=[O:44])(=[O:45])[OH:46])[cH:41][cH:42]1.[CH:1]([CH3:2])([CH3:3])[O:4][C:5]([CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][O:11][c:12]1[c:13]([NH2:33])[cH:14][c:15]2[c:16]([n:17](-[c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[c:18](-[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[n:19]2)[cH:32]1)=[O:34].[Cl-:35]>>[CH:1]([CH3:2])([CH3:3])[O:4][C:5]([CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][O:11][c:12]1[c:13]([NH:33][S:43]([c:40]2[cH:39][cH:38][c:37]([CH3:36])[cH:42][cH:41]2)(=[O:44])=[O:45])[cH:14][c:15]2[c:16]([n:17](-[c:26]3[cH:27][cH:28][cH:29][cH:30][cH:31]3)[c:18](-[c:20]3[cH:21][cH:22][cH:23][cH:24][cH:25]3)[n:19]2)[cH:32]1)=[O:34]
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반응물 3

HCID 312ChlorideHCID 6101p-Toluenesulfonic acidHCID 673640426-[(5-Amino-1,2-diphenyl-1H-benzimidazol-6-yl)oxy]hexanoic acid isopropyl ester

생성물 1

HCID 119979366-[[1,2-Diphenyl-5-[[(4-methylphenyl)sulfonyl]amino]-1H-benzimidazol-6-yl]oxy]-hexanoic acid isopropyl ester

출처 및 근거

ORD 기록
ord-f25a54a7e057416ba6c9d7d0cdd433a8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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