2-Chloro-1-(2-methyloxiran-2-ylmethyl)-4-nitroimidazole → Tert-butyl{4-[3-(2-chloro-4-nitroimidazol-1-yl)-2-hydroxy-2-methylpropyl]piperazin-1-yl}carbamate

반응식

[Cl:1][c:2]1[n:3]([CH2:10][C:11]2([CH3:14])[O:12][CH2:13]2)[cH:4][c:5]([N+:7](=[O:8])[O-:9])[n:6]1.[N:15]1([NH:21][C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]1>>[Cl:1][c:2]1[n:3]([CH2:10][C:11]([OH:12])([CH2:13][N:18]2[CH2:17][CH2:16][N:15]([NH:21][C:22]([O:23][C:24]([CH3:25])([CH3:26])[CH3:27])=[O:28])[CH2:20][CH2:19]2)[CH3:14])[cH:4][c:5]([N+:7](=[O:8])[O-:9])[n:6]1

참가 물질

반응물 2

HCID 159655232-Chloro-1-(2-methyloxiran-2-ylmethyl)-4-nitroimidazole

HCID 21701658tert-Butyl piperazin-1-ylcarbamate

생성물 1

HCID 91560685Tert-butyl{4-[3-(2-chloro-4-nitroimidazol-1-yl)-2-hydroxy-2-methylpropyl]piperazin-1-yl}carbamate

출처 및 근거

ORD 기록: ord-4863c9f2428845788a05c7c40440b0fe
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

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