Acetic Acid → 2-(4-Tolyl)propanoic acid

HRID 150425

반응식

HRID 150425 반응식
[CH3:28][C:29](=[O:30])[OH:31].[H:26][H:27].[OH:13][c:14]1[c:15]([CH:16]([C:17](=[O:18])[OH:19])[CH3:20])[cH:21][cH:22][c:23]([CH3:25])[cH:24]1.[c:1]1([NH:2][C:3]([O:4][CH2:5][CH3:6])=[O:7])[cH:8][cH:9][cH:10][cH:11][cH:12]1>>[cH:14]1[c:15]([CH:16]([C:17](=[O:18])[OH:19])[CH3:20])[cH:21][cH:22][c:23]([CH3:25])[cH:24]1

참가 물질

5

반응물 4

HCID 176Acetic AcidHCID 7591Ethyl N-phenylcarbamateHCID 20449857HCID 20449857, 화합물HCID 178418361HCID 178418361, 화합물

생성물 1

HCID 1508662-(4-Tolyl)propanoic acid

출처 및 근거

ORD 기록
ord-c661e62ebcc94f82b1b7953d2b953d91
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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