Methanol → t-Butyl N-[2-amino-5-(4-t-butoxycarbonylamino-3,5-dimethylphenoxy)phenyl]-N-methylcarbamate

반응식

[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([CH3:35])[cH:11][c:12]([O:13][c:14]2[cH:15][cH:16][c:17]([N+:29]([O-:30])=[O:31])[c:18]([N:20]([C:21]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[CH3:28])[cH:19]2)[cH:32][c:33]1[CH3:34].[CH3:36][OH:37]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[NH:8][c:9]1[c:10]([CH3:35])[cH:11][c:12]([O:13][c:14]2[cH:15][cH:16][c:17]([NH2:29])[c:18]([N:20]([C:21]([O:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[CH3:28])[cH:19]2)[cH:32][c:33]1[CH3:34]

참가 물질

반응물 2

HCID 887Methanol

HCID 181849432-(N-t-Butoxycarbonyl-N-methylamino)-4-(4-t-butoxycarbonylamino-3,5-dimethylphenoxy)nitrobenzene

생성물 1

HCID 18184919t-Butyl N-[2-amino-5-(4-t-butoxycarbonylamino-3,5-dimethylphenoxy)phenyl]-N-methylcarbamate

출처 및 근거

ORD 기록: ord-4bba8512b56d469dbf7501c991dfe4f3
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D

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