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Methanol → 6-Dimethylamino-2-(2-hydroxymethyl-3-{1-methyl-5-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-6-oxo-1,6-dihydro-pyridin-3-yl}-phenyl)-2H-isoquinolin-1-one

HRID 1149607
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HRID 1149607 반응식
[CH3:1][N:2]([c:3]1[cH:4][c:5]2[cH:6][cH:7][n:8](-[c:14]3[c:15]([CH2:16][O:17][C:18](=[O:19])[CH3:20])[c:21](-[c:25]4[cH:26][n:27]([CH3:47])[c:28](=[O:46])[c:29]([NH:31][c:32]5[n:33][cH:34][c:35]([C:38](=[O:39])[N:40]6[CH2:41][CH2:42][O:43][CH2:44][CH2:45]6)[cH:36][cH:37]5)[cH:30]4)[cH:22][cH:23][cH:24]3)[c:9](=[O:13])[c:10]2[cH:11][cH:12]1)[CH3:48].[CH3:57][OH:58].[Li+:50].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[OH-:51].[OH2:49]>>[CH3:1][N:2]([c:3]1[cH:4][c:5]2[cH:6][cH:7][n:8](-[c:14]3[c:15]([CH2:16][OH:17])[c:21](-[c:25]4[cH:26][n:27]([CH3:47])[c:28](=[O:46])[c:29]([NH:31][c:32]5[n:33][cH:34][c:35]([C:38](=[O:39])[N:40]6[CH2:41][CH2:42][O:43][CH2:44][CH2:45]6)[cH:36][cH:37]5)[cH:30]4)[cH:22][cH:23][cH:24]3)[c:9](=[O:13])[c:10]2[cH:11][cH:12]1)[CH3:48]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 887MethanolHCID 961HydroxideHCID 962WaterHCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 59216499Acetic acid 2-(6-dimethylamino-1-oxo-1H-isoquinolin-2-yl)-6-{1-methyl-5-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-6-oxo-1,6-dihydro-pyridin-3-yl}-benzyl ester

생성물 1

HCID 44182938
6-Dimethylamino-2-(2-hydroxymethyl-3-{1-methyl-5-[5-(morpholine-4-carbonyl)-pyridin-2-ylamino]-6-oxo-1,6-dihydro-pyridin-3-yl}-phenyl)-2H-isoquinolin-1-one

출처 및 근거

ORD 기록
ord-2e6460700b954f688a68741026704d06
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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