Toluene → HCID 19047571, 화합물

반응식

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 6101p-Toluenesulfonic acid

HCID 19974084HCID 19974084, 화합물

생성물 1

HCID 19047571HCID 19047571, 화합물

출처 및 근거

ORD 기록: ord-2f9943ed65a345059eab88972ad550fe
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

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