Benzene → Isamoxole

HRID 689890

반응식

HRID 689890 반응식
[C:19]([CH:20]([CH3:21])[CH3:22])(=[O:23])[Cl:24].[CH2:1]([CH2:2][CH2:3][CH3:4])[NH:5][c:6]1[o:7][cH:8][c:9]([CH3:11])[n:10]1.[CH3:12][CH2:13][N:14]([CH2:15][CH3:16])[CH2:17][CH3:18].[OH2:25].[cH:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1>>[CH2:1]([CH2:2][CH2:3][CH3:4])[N:5]([c:6]1[o:7][cH:8][c:9]([CH3:11])[n:10]1)[C:19]([CH:20]([CH3:21])[CH3:22])=[O:23]

참가 물질

6

반응물 5

HCID 241BenzeneHCID 962WaterHCID 8471TriethylamineHCID 62325Isobutyryl chlorideHCID 122952262-Oxazolamine, N-butyl-4-methyl-

생성물 1

HCID 42118Isamoxole

출처 및 근거

ORD 기록
ord-63560076f2bc49e384a7c511393a50c1
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

연결된 노트

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