Toluene → HCID 178497639, 화합물

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[CH3:25][O:26][CH2:27][O:28][c:29]1[c:30]([N:35]2[C:36](=[O:43])[CH2:37][NH:38][C:39]([CH3:41])([CH3:42])[CH2:40]2)[cH:31][cH:32][cH:33][cH:34]1.[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[CH:1]([CH3:2])([CH3:3])[CH:4]1[C:5](=[O:24])[O:6][CH:7]([CH:9]2[N:10]([S:12](=[O:13])(=[O:14])[c:15]3[c:16]([N+:21](=[O:22])[O-:23])[cH:17][cH:18][cH:19][cH:20]3)[CH2:11]2)[CH2:8]1>>[CH:1]([CH3:2])([CH3:3])[CH:4]1[C:5](=[O:24])[O:6][CH:7]([CH:9]([NH:10][S:12](=[O:13])(=[O:14])[c:15]2[c:16]([N+:21](=[O:22])[O-:23])[cH:17][cH:18][cH:19][cH:20]2)[CH2:11][N:38]2[CH2:37][C:36](=[O:43])[N:35]([c:30]3[c:29]([O:28][CH2:27][O:26][CH3:25])[cH:34][cH:33][cH:32][cH:31]3)[CH2:40][C:39]2([CH3:41])[CH3:42])[CH2:8]1

참가 물질

반응물 3

HCID 1140Toluene

HCID 666456561-(2-Methoxymethoxyphenyl)-5,5-dimethylpiperazin-2-one

HCID 761445575-[1-(2-Nitrophenyl)sulfonylaziridin-2-yl]-3-propan-2-yloxolan-2-one

생성물 1

HCID 178497639HCID 178497639, 화합물

출처 및 근거

ORD 기록: ord-21af2292e6eb4d819088b30ed0eee029
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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