Toluene → HCID 178468949, 화합물

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 6101p-Toluenesulfonic acid

HCID 178468950HCID 178468950, 화합물

생성물 1

HCID 178468949HCID 178468949, 화합물

출처 및 근거

ORD 기록: ord-f4a37eb55a0c4efc849697933318cbfe
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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