Benzene → 5,5-Bis(2-fluoro-4-methylphenyl)-4-(1-methyl-1H-tetrazol-5-yl)-2,4-pentadienal

HRID 136856

반응식

HRID 136856 반응식
[F:1][c:2]1[c:3]([C:9](=[C:10]([CH:11]=[O:12])[c:13]2[n:14][n:15][n:16][n:17]2[CH3:18])[c:19]2[c:20]([F:26])[cH:21][c:22]([CH3:25])[cH:23][cH:24]2)[cH:4][cH:5][c:6]([CH3:8])[cH:7]1.[c:27]1([P:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)([c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)=[CH:46][CH:47]=[O:48])[cH:41][cH:42][cH:43][cH:44][cH:45]1.[cH:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[F:1][c:2]1[c:3]([C:9](=[C:10]([CH:11]=[CH:46][CH:47]=[O:48])[c:13]2[n:14][n:15][n:16][n:17]2[CH3:18])[c:19]2[c:20]([F:26])[cH:21][c:22]([CH3:25])[cH:23][cH:24]2)[cH:4][cH:5][c:6]([CH3:8])[cH:7]1

참가 물질

4

반응물 3

HCID 241BenzeneHCID 75051(Triphenylphosphoranylidene)acetaldehydeHCID 147239943,3-Bis(2-fluoro-4-methylphenyl)-2-(1-methyl-1H-tetrazol-5-yl)-2-propenal

생성물 1

HCID 542073765,5-Bis(2-fluoro-4-methylphenyl)-4-(1-methyl-1H-tetrazol-5-yl)-2,4-pentadienal

출처 및 근거

ORD 기록
ord-3409126c496c46719bc0b1685053d5c0
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

연결된 노트

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