2-Phenylbutyric Acid → HCID 77149942, 화합물

HRID 307663

반응식

HRID 307663 반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]2[CH:11]([CH2:12]1)[CH:13]([NH2:16])[CH2:14][CH2:15]2.[CH3:17][CH:18]([CH3:19])[CH:20]([C:21]([OH:22])=[O:23])[c:24]1[cH:25][cH:26][c:27]([OH:28])[cH:29][cH:30]1.[c:31]1([CH:32]([CH2:33][CH3:34])[C:35]([OH:36])=[O:37])[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]2[CH:11]([CH2:12]1)[CH:13]([NH:16][C:21]([CH:20]([CH:18]([CH3:17])[CH3:19])[c:24]1[cH:25][cH:26][c:27]([OH:28])[cH:29][cH:30]1)=[O:22])[CH2:14][CH2:15]2

참가 물질

4

반응물 3

HCID 70122-Phenylbutyric AcidHCID 1121922-(4-Hydroxyphenyl)-3-methylbutyric acidHCID 426145342-Benzyl-octahydrocyclopenta[c]pyrrol-4-amine

생성물 1

HCID 77149942HCID 77149942, 화합물

출처 및 근거

ORD 기록
ord-d15abadd398e474d9b64b7dd8b9f6752
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

연결된 노트

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