p-Toluenesulfonic acid → 4-(3,4-Dichloro-phenyl)-4-(3-hydroxy-propyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-2-one

반응식

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

참가 물질

반응물 2

HCID 6101p-Toluenesulfonic acid

HCID 537446794-(3,4-Dichloro-phenyl)-1-(3,4,5-trimethoxy-benzoyl)-4-[3-(tetrahydro-pyran-2-yloxy)-propyl]-pyrrolidin-2-one

생성물 1

HCID 536803744-(3,4-Dichloro-phenyl)-4-(3-hydroxy-propyl)-1-(3,4,5-trimethoxy-benzoyl)-pyrrolidin-2-one

출처 및 근거

ORD 기록: ord-d1c36380b5054b09bf9dd5c88aa23f3e
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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