Toluene → (4-tert-Butylcyclohexylidene)acetic acid methyl ester

HRID 108368

반응식

HRID 108368 반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[CH2:6][CH2:7][C:8](=[O:11])[CH2:9][CH2:10]1.[CH3:12][O:13][C:14](=[O:15])[CH:16]=[P:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)([c:24]1[cH:25][cH:26][cH:27][cH:28][cH:29]1)[c:30]1[cH:31][cH:32][cH:33][cH:34][cH:35]1.[CH3:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[CH:5]1[CH2:6][CH2:7][C:8](=[CH:16][C:14]([O:13][CH3:12])=[O:15])[CH2:9][CH2:10]1

참가 물질

4

반응물 3

HCID 1140TolueneHCID 73924-tert-ButylcyclohexanoneHCID 17453Acetic acid, 2-(triphenylphosphoranylidene)-, methyl ester

생성물 1

HCID 10750958(4-tert-Butylcyclohexylidene)acetic acid methyl ester

출처 및 근거

ORD 기록
ord-e9517555b5e443cbb530b38dcc4649df
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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