7-[5-[(4-Fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-phenylmethoxyimidazo[1,2-a]pyrimidin-5-one → 7-[5-[(4-Fluorophenyl)methyl]thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]imidazo[1,2-a]pyrimidin-5-one

반응식

[CH2:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)[O:26][c:27]1[c:28](-[c:47]2[s:48][c:49]([CH2:52][c:53]3[cH:54][cH:55][c:56]([F:59])[cH:57][cH:58]3)[cH:50][n:51]2)[n:29][c:30]2[n:31]([c:32]1=[O:33])[cH:34][cH:35][n:36]2[CH2:37][C:38](=[O:39])[N:40]1[CH2:41][CH2:42][N:43]([CH3:46])[CH2:44][CH2:45]1.[CH3:1][O:2][C:3]([c:4]1[n:5][c:6]2[nH:7][cH:8][cH:9][n:10]2[c:11](=[O:12])[c:13]1[O:14][C:15](=[O:16])[CH3:17])=[O:18]>>[OH:26][c:27]1[c:28](-[c:47]2[s:48][c:49]([CH2:52][c:53]3[cH:54][cH:55][c:56]([F:59])[cH:57][cH:58]3)[cH:50][n:51]2)[n:29][c:30]2[n:31]([c:32]1=[O:33])[cH:34][cH:35][n:36]2[CH2:37][C:38](=[O:39])[N:40]1[CH2:41][CH2:42][N:43]([CH3:46])[CH2:44][CH2:45]1

참가 물질

반응물 2

HCID 581269737-[5-[(4-Fluorophenyl)methyl]-1,3-thiazol-2-yl]-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-6-phenylmethoxyimidazo[1,2-a]pyrimidin-5-one

HCID 178499055HCID 178499055, 화합물

생성물 1

HCID 1359280497-[5-[(4-Fluorophenyl)methyl]thiazol-2-yl]-6-hydroxy-1-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]imidazo[1,2-a]pyrimidin-5-one

출처 및 근거

ORD 기록: ord-ccc7d3efc5f94072a0d3643e848a34b7
출처 데이터셋: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

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