Acetone → 4-[3-Oxo-3-(2-phenylamino-6-trifluoromethyl-pyridin-3-yl)-propyl]-benzoic acid methyl ester

반응식

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

참가 물질

반응물 3

HCID 180Acetone

HCID 123200369Methyl 4-[3-[2-anilino-6-(trifluoromethyl)-3-pyridinyl]-3-oxoprop-1-enyl]benzoate

HCID 178418361HCID 178418361, 화합물

생성물 1

HCID 708172854-[3-Oxo-3-(2-phenylamino-6-trifluoromethyl-pyridin-3-yl)-propyl]-benzoic acid methyl ester

출처 및 근거

ORD 기록: ord-c346cddd2f294da08c97e785b7c0519a
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

반응 노트

불러오는 중…