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Methanol → [2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-3-yl]methanol

HRID 1222215
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HRID 1222215 반응식
[CH2:16]1[NH:17][CH:18]([CH2:26][OH:27])[CH2:19][c:20]2[cH:21][cH:22][cH:23][cH:24][c:25]21.[CH3:28][CH2:29][N:30]([CH2:31][CH3:32])[CH2:33][CH3:34].[CH3:35][N:36]1[CH2:37][CH2:38][CH2:39][C:40]1=[O:41].[CH3:42][OH:43].[Cl:1][c:2]1[n:3][c:4]([NH2:15])[n:5][c:6]([N:8]2[CH2:9][CH2:10][N:11]([CH3:14])[CH2:12][CH2:13]2)[cH:7]1>>[c:2]1([N:17]2[CH2:16][c:25]3[c:20]([cH:21][cH:22][cH:23][cH:24]3)[CH2:19][CH:18]2[CH2:26][OH:27])[n:3][c:4]([NH2:15])[n:5][c:6]([N:8]2[CH2:9][CH2:10][N:11]([CH3:14])[CH2:12][CH2:13]2)[cH:7]1
참가 물질출처 및 근거반응 노트

참가 물질

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반응물 5

HCID 887MethanolHCID 8471TriethylamineHCID 13387N-methyl-2-pyrrolidoneHCID 14845194-Chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-amineHCID 3752277(1,2,3,4-Tetrahydro-isoquinolin-3-yl)-methanol

생성물 1

HCID 75211179[2-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinolin-3-yl]methanol
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출처 및 근거

ORD 기록
ord-9ac8ebabdf574d458e2a5ec63ef7fd75
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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