Methanol → {3-[1-(3-Benzyl-4-oxo-3,4-dihydro-pyrrolo[2,1-f][1,2,4]triazin-2-yl)-propylamino]-propyl}-carbamic acid tert-butyl ester

반응식

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

참가 물질

반응물 3

HCID 887Methanol

HCID 10910051tert-Butyl N-(3-oxopropyl)carbamate

HCID 221799762-(1-amino-propyl)-3-benzyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one

생성물 1

HCID 21025743{3-[1-(3-Benzyl-4-oxo-3,4-dihydro-pyrrolo[2,1-f][1,2,4]triazin-2-yl)-propylamino]-propyl}-carbamic acid tert-butyl ester

출처 및 근거

ORD 기록: ord-8b6c0f481c3f420e992ff5a0739a8852
출처 데이터셋: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D

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