1-(2-Phenethylamino-pyrimidin-4-yl)-8-phenyl-1,2,3,4-tetrahydro-pyrido[1,2-a]pyrimidin-6-one → 1-{2-[2-(3-Hydroxymethyl-phenyl)-1-methyl-ethylamino]-pyrimidin-4-yl}-8-phenyl-1,2,3,4-tetrahydro-pyrido[1,2-a]pyrimidin-6-one

반응식

[CH2:1]([NH:2][c:10]1[n:11][cH:12][cH:13][c:14]([N:16]2[c:17]3[n:18]([c:22](=[O:32])[cH:23][c:24](-[c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[cH:25]3)[CH2:19][CH2:20][CH2:21]2)[n:15]1)[CH2:3][c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1.[NH2:33][CH:34]([CH2:35][c:36]1[cH:37][c:38]([CH2:42][OH:43])[cH:39][cH:40][cH:41]1)[CH3:44]>>[c:10]1([NH:33][CH:34]([CH2:35][c:36]2[cH:37][c:38]([CH2:42][OH:43])[cH:39][cH:40][cH:41]2)[CH3:44])[n:11][cH:12][cH:13][c:14]([N:16]2[c:17]3[n:18]([c:22](=[O:32])[cH:23][c:24](-[c:26]4[cH:27][cH:28][cH:29][cH:30][cH:31]4)[cH:25]3)[CH2:19][CH2:20][CH2:21]2)[n:15]1

참가 물질

반응물 2

HCID 112123971-(2-Phenethylamino-pyrimidin-4-yl)-8-phenyl-1,2,3,4-tetrahydro-pyrido[1,2-a]pyrimidin-6-one

HCID 247215123-(2-Aminopropyl)benzyl alcohol

생성물 1

HCID 114655071-{2-[2-(3-Hydroxymethyl-phenyl)-1-methyl-ethylamino]-pyrimidin-4-yl}-8-phenyl-1,2,3,4-tetrahydro-pyrido[1,2-a]pyrimidin-6-one

출처 및 근거

ORD 기록: ord-97c127ad76044201a687966a45fe1e51
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D

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