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Methanol → 1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-(4-phenylphenyl)-4-propan-2-ylsulfanylpyrrolidine-2-carboxylic acid

HRID 1538375
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HRID 1538375 반응식
[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[CH3:49][OH:50].[Li+:43].[OH-:42].[OH2:41].[OH2:51].[c:1]1(-[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:2][cH:3][c:4]([C:7]2([S:31][CH:32]([CH3:33])[CH3:34])[CH2:8][CH:9]([C:27](=[O:28])[O:29][CH3:30])[N:10]([C:12]([CH:13]([C:14]([CH3:15])([CH3:16])[CH3:17])[NH:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[CH2:11]2)[cH:5][cH:6]1>>[c:1]1(-[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:2][cH:3][c:4]([C:7]2([S:31][CH:32]([CH3:33])[CH3:34])[CH2:8][CH:9]([C:27](=[O:28])[OH:29])[N:10]([C:12]([CH:13]([C:14]([CH3:15])([CH3:16])[CH3:17])[NH:18][C:19](=[O:20])[O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[CH2:11]2)[cH:5][cH:6]1
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반응물 6

HCID 887MethanolHCID 961HydroxideHCID 962Water2회HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 178498627HCID 178498627, 화합물

생성물 1

HCID 178460703
1-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-4-(4-phenylphenyl)-4-propan-2-ylsulfanylpyrrolidine-2-carboxylic acid

출처 및 근거

ORD 기록
ord-b3ecd7e553414ccb9fbdf7d3eb28a1db
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI
10.1039/C8SC04228D

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