2-(2-(Acetoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1(2H)-one → 2-(1-Methyl-5-(2-methylpyrimidin-4-ylamino)-6-oxo-1,6-dihydropyridin-3-yl)-6-(1-oxo-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-2(1H)-yl)benzyl Acetate

HRID 109080

반응식

HRID 109080 반응식
[Br:35][c:36]1[cH:37][c:38]([NH:44][c:45]2[n:46][c:47]([CH3:51])[n:48][cH:49][cH:50]2)[c:39](=[O:43])[n:40]([CH3:42])[cH:41]1.[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][c:6]1[c:7]([N:21]2[C:22](=[O:34])[c:23]3[n:24]([c:25]4[c:30]([cH:31]3)[CH2:29][CH2:28][CH2:27][CH2:26]4)[CH2:32][CH2:33]2)[cH:8][cH:9][cH:10][c:11]1[B:12]1[O:13][C:14]([CH3:15])([CH3:16])[C:17]([CH3:18])([CH3:19])[O:20]1>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][c:6]1[c:7]([N:21]2[C:22](=[O:34])[c:23]3[n:24]([c:25]4[c:30]([cH:31]3)[CH2:29][CH2:28][CH2:27][CH2:26]4)[CH2:32][CH2:33]2)[cH:8][cH:9][cH:10][c:11]1-[c:36]1[cH:37][c:38]([NH:44][c:45]2[n:46][c:47]([CH3:51])[n:48][cH:49][cH:50]2)[c:39](=[O:43])[n:40]([CH3:42])[cH:41]1

참가 물질

3

반응물 2

HCID 580438772-(2-(Acetoxymethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-1(2H)-oneHCID 680968835-Bromo-1-methyl-3-(2-methylpyrimidin-4-ylamino)pyridin-2(1H)-one

생성물 1

HCID 680965412-(1-Methyl-5-(2-methylpyrimidin-4-ylamino)-6-oxo-1,6-dihydropyridin-3-yl)-6-(1-oxo-3,4,6,7,8,9-hexahydropyrazino[1,2-a]indol-2(1H)-yl)benzyl Acetate

출처 및 근거

ORD 기록
ord-eaebbb24a6384205af4841ee8d00381e
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

연결된 노트

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