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Water → 2-{6-(4-Chloro-benzyl)-2-[1-(5-methyl-[1,3,4]oxadiazol-2-yl)-piperidin-4-ylamino]-pyrimidin-4-yl}-propan-2-ol

HRID 180617
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반응식

HRID 180617 반응식
[CH3:1][c:2]1[n:3][n:4][c:5]([N:7]2[CH2:8][CH2:9][CH:10]([NH2:13])[CH2:11][CH2:12]2)[o:6]1.[CH:33]([N:34]([CH2:35][CH3:36])[CH:37]([CH3:38])[CH3:39])([CH3:40])[CH3:41].[Cl:14][c:15]1[n:16][c:17]([CH2:25][c:26]2[cH:27][cH:28][c:29]([Cl:32])[cH:30][cH:31]2)[cH:18][c:19]([C:21]([CH3:22])([CH3:23])[OH:24])[n:20]1.[O:42]1[CH2:43][CH2:44][O:45][CH2:46][CH2:47]1.[OH2:48]>>[CH3:1][c:2]1[n:3][n:4][c:5]([N:7]2[CH2:8][CH2:9][CH:10]([NH:13][c:15]3[n:16][c:17]([CH2:25][c:26]4[cH:27][cH:28][c:29]([Cl:32])[cH:30][cH:31]4)[cH:18][c:19]([C:21]([CH3:22])([CH3:23])[OH:24])[n:20]3)[CH2:11][CH2:12]2)[o:6]1
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참가 물질

6

반응물 5

HCID 962WaterHCID 312751,4-DioxaneHCID 81531DiisopropylethylamineHCID 673446221-(5-Methyl-[1,3,4]oxadiazol-2-yl)-piperidin-4-ylamineHCID 866567012-[2-Chloro-6-(4-chloro-benzyl)-pyrimidin-4-yl]-propan-2-ol

생성물 1

HCID 533535252-{6-(4-Chloro-benzyl)-2-[1-(5-methyl-[1,3,4]oxadiazol-2-yl)-piperidin-4-ylamino]-pyrimidin-4-yl}-propan-2-ol

출처 및 근거

ORD 기록
ord-afaaca7143674844857cd2e34b794b35
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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