Trifluoroacetic acid → 7-(2-Butynyl)-1,3-dimethyl-8-(piperazin-1-yl)-3,7-dihydropurine-2,6-dione

반응식

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

참가 물질

반응물 2

HCID 6422Trifluoroacetic acid

HCID 230819234-[7-(2-Butynyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]piperazine-1-carboxylic acid tert-butyl ester

생성물 1

HCID 102864607-(2-Butynyl)-1,3-dimethyl-8-(piperazin-1-yl)-3,7-dihydropurine-2,6-dione

출처 및 근거

ORD 기록: ord-5e50f344dce64a30a72c296de34b850c
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

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