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Dichloromethane → 3-[2-(4-Benzyloxyphenyl)-1-cyclohexyl-1H-benzimidazole-5-sulfonylamino]-3-oxo-propionic acid methyl ester

HRID 96518
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HRID 96518 반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[n:16][c:17]3[c:18]([n:19]2[CH:20]2[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]2)[cH:26][cH:27][c:28]([S:30](=[O:31])(=[O:32])[NH2:33])[cH:29]3)[cH:13][cH:14]1.[CH3:34][Si:35]([N-:36][Si:37]([CH3:38])([CH3:39])[CH3:40])([CH3:41])[CH3:42].[CH3:44][O:45][C:46]([CH2:47][C:48](=[O:49])[Cl:50])=[O:51].[Cl:52][CH2:53][Cl:54].[Li+:43]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12](-[c:15]2[n:16][c:17]3[c:18]([n:19]2[CH:20]2[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]2)[cH:26][cH:27][c:28]([S:30](=[O:31])(=[O:32])[NH:33][C:48]([CH2:47][C:46]([O:45][CH3:44])=[O:51])=[O:49])[cH:29]3)[cH:13][cH:14]1
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반응물 5

HCID 6344DichloromethaneHCID 28486Lithium CationHCID 123460Methyl malonyl chlorideHCID 3280088Npc316347HCID 226608052-[4-(Benzyloxy)phenyl]-1-cyclohexyl-1H-benzimidazole-5-sulfonamide

생성물 1

HCID 698964073-[2-(4-Benzyloxyphenyl)-1-cyclohexyl-1H-benzimidazole-5-sulfonylamino]-3-oxo-propionic acid methyl ester

출처 및 근거

ORD 기록
ord-416054057d26493f850df112fbb048ad
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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