Benzyl isocyanate → 3-(3-Benzylureido)-1-(4-methoxy-benzenesulfonyl)-2,3,4,7-tetrahydro-1H-azepine-2-carboxylic acid tert-butyl ester
반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]1[N:9]([S:16](=[O:17])(=[O:18])[c:19]2[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]2)[CH2:10][CH:11]=[CH:12][CH2:13][CH:14]1[NH2:15].[CH2:27]([c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)[N:34]=[C:35]=[O:36]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]1[N:9]([S:16](=[O:17])(=[O:18])[c:19]2[cH:20][cH:21][c:22]([O:25][CH3:26])[cH:23][cH:24]2)[CH2:10][CH:11]=[CH:12][CH2:13][CH:14]1[NH:15][C:35]([NH:34][CH2:27][c:28]1[cH:29][cH:30][cH:31][cH:32][cH:33]1)=[O:36]참가 물질
3
출처 및 근거
- ORD 기록
- ord-eb86aaef0fbe479082d44a76772ceabf
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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