Water → 2-[4-(4-Chlorophenyl)phenyl]-5,5-dimethyl-1,3-dioxolan-4-one

HRID 141755

반응식

HRID 141755 반응식
[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1.[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([CH:12]=[O:13])[cH:14][cH:15]2)[cH:6][cH:7]1.[OH2:23].[OH2:35].[OH:16][C:17]([C:18](=[O:19])[OH:20])([CH3:21])[CH3:22].[c:24]1([CH3:25])[cH:26][cH:27][c:28]([S:29]([OH:30])(=[O:31])=[O:32])[cH:33][cH:34]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][cH:10][c:11]([CH:12]3[O:13][C:17]([CH3:21])([CH3:22])[C:18](=[O:19])[O:20]3)[cH:14][cH:15]2)[cH:6][cH:7]1

참가 물질

6

반응물 5

HCID 962Water2회HCID 1140TolueneHCID 6101p-Toluenesulfonic acidHCID 116712-Hydroxyisobutyric acidHCID 5925704'-Chloro[1,1'-biphenyl]-4-carbaldehyde

생성물 1

HCID 127737612-[4-(4-Chlorophenyl)phenyl]-5,5-dimethyl-1,3-dioxolan-4-one

출처 및 근거

ORD 기록
ord-1f8e66b149ce4d04b9323a171909ac51
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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