Toluene → HCID 13504755, 화합물

반응식

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

참가 물질

반응물 3

HCID 1140Toluene

HCID 14801Manganese dioxide

HCID 11303733HCID 11303733, 화합물

생성물 1

HCID 13504755HCID 13504755, 화합물

출처 및 근거

ORD 기록: ord-dc53783b1fb546e28bcadf6c3821242c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D

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