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Hydroxide → 6-[4-[6-(4-Fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-2-carboxylic acid

HRID 1152865
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반응식

HRID 1152865 반응식
[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]([N:12]2[CH2:13][CH:14]([CH3:37])[N:15]([c:18]3[n:19][c:20]([N:31]4[CH:32]([CH3:36])[CH2:33][CH2:34][CH2:35]4)[n:21][c:22](-[c:24]4[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]4)[cH:23]3)[CH2:16][CH2:17]2)[c:8]([CH3:11])[cH:9][cH:10]1.[Li+:40].[OH-:39].[OH2:38].[OH2:41]>>[O:2]=[C:3]([OH:4])[c:5]1[n:6][c:7]([N:12]2[CH2:13][CH:14]([CH3:37])[N:15]([c:18]3[n:19][c:20]([N:31]4[CH:32]([CH3:36])[CH2:33][CH2:34][CH2:35]4)[n:21][c:22](-[c:24]4[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]4)[cH:23]3)[CH2:16][CH2:17]2)[c:8]([CH3:11])[cH:9][cH:10]1
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참가 물질

6

반응물 5

HCID 961HydroxideHCID 962Water2회HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 66838875Methyl 6-[4-[6-(4-fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-2-carboxylate

생성물 1

HCID 66838851
6-[4-[6-(4-Fluorophenyl)-2-(2-methylpyrrolidin-1-yl)pyrimidin-4-yl]-3-methylpiperazin-1-yl]-5-methylpyridine-2-carboxylic acid

출처 및 근거

ORD 기록
ord-0e3a5700236c41a3a7f5e9eef10a5db7
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI
10.1039/C8SC04228D

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