Methanol → {3-[4-(4-Aminobutyl)phenoxy]-1-carbamoylpropyl}carbamic acid tert-butyl ester

반응식

[CH2:1]([O:2][C:3](=[O:4])[NH:10][CH2:11][CH2:12][CH2:13][CH2:14][c:15]1[cH:16][cH:17][c:18]([O:21][CH2:22][CH2:23][CH:24]([C:25]([NH2:26])=[O:27])[NH:28][C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[cH:19][cH:20]1)[c:5]1[cH:6][cH:7][cH:8][cH:9][cH:36]1.[CH3:37][OH:38].[Cl:39][CH2:40][Cl:41]>>[NH2:10][CH2:11][CH2:12][CH2:13][CH2:14][c:15]1[cH:16][cH:17][c:18]([O:21][CH2:22][CH2:23][CH:24]([C:25]([NH2:26])=[O:27])[NH:28][C:29](=[O:30])[O:31][C:32]([CH3:33])([CH3:34])[CH3:35])[cH:19][cH:20]1

참가 물질

반응물 3

HCID 887Methanol

HCID 6344Dichloromethane

HCID 59750592{4-[4-(3-tert-Butoxycarbonylamino-3-carbamoylpropoxy)phenyl]butyl}carbamic acid benzyl ester

생성물 1

HCID 66849495{3-[4-(4-Aminobutyl)phenoxy]-1-carbamoylpropyl}carbamic acid tert-butyl ester

출처 및 근거

ORD 기록: ord-7e99555d77fe47a98c7aaa763b12df00
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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